This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C106H80N10


Canonical SMILES:
Cc1cc(c(cc1c1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C)C)c1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C
InChI:
InChI=1S/C106H80N10/c1-61-51-74(64-54-88-102(108-60-64)112-100-72-50-46-68(116-95-41-25-17-33-85(95)106(9,10)86-34-18-26-42-96(86)116)58-78(72)76-56-66(44-48-70(76)98(100)110-88)114-91-37-21-13-29-81(91)104(5,6)82-30-14-22-38-92(82)114)62(2)52-73(61)63-53-87-101(107-59-63)111-99-71-49-45-67(115-93-39-23-15-31-83(93)105(7,8)84-32-16-24-40-94(84)115)57-77(71)75-55-65(43-47-69(75)97(99)109-87)113-89-35-19-11-27-79(89)103(3,4)80-28-12-20-36-90(80)113/h11-60H,1-10H3
InChIKey:
DMZUOABUOWFVOT-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2024-11-25This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

infrared absorption spectroscopy (IR) 
Author: Jason Hofmann1

1. Institute of Organic Chemistry, Karlsruher Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
IR (ATR, ṽ) = 3070 (w), 3031 (w), 2969 (w), 2956 (w), 2918 (w), 2854 (w), 1591 (s), 1500 (w), 1472 (s), 1448 (vs), 1425 (m), 1404 (w), 1383 (w), 1356 (m), 1322 (vs), 1268 (s), 1230 (w), 1217 (w), 1190 (w), 1163 (m), 1111 (s), 1085 (s), 1064 (s), 1045 (vs), 976 (m), 942 (m), 931 (s), 884 (m), 844 (m), 820 (m), 799 (m), 744 (vs), 705 (m), 681 (w), 667 (m), 642 (vs), 616 (s), 579 (m), 569 (s), 552 (s), 518 (s), 487 (s), 462 (m), 435 (m), 412 (m), 405 (m), 397 (m) cm–1.
Datasets