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

Formula: C13H16N2OS


Canonical SMILES:
CCOC1=N/C(=C/c2ccc(cc2)N)/SC1C
InChI:
InChI=1S/C13H16N2OS/c1-3-16-13-9(2)17-12(15-13)8-10-4-6-11(14)7-5-10/h4-9H,3,14H2,1-2H3/b12-8-
InChIKey:
XCRKWENUDQQROP-WQLSENKSSA-N
Exact Mass:
Crosslinks:   


Published on 2023-11-07No License

 

infrared absorption spectroscopy (IR) 
Authors: Henrike Zacher1 - Eric Täuscher2

1. Fachgebiet Chemie, Technische Universität Ilmenau, Deutschland

2. Chemie und Biotechnik, Technische Universität Ilmenau, Germany

Analysis DOI:
Analysis ID:
Content:   
IR (ATR, ṽ) = 3461 (vw), 3333 (w), 3218 (w), 3038 (w), 2970 (w), 2924 (w), 2871 (w), 2853 (w), 1673 (vs), 1608 (vs), 1514 (vs), 1459 (m), 1448 (m), 1442 (m), 1434 (m), 1403 (vs), 1325 (s), 1298 (s), 1274 (s), 1240 (s), 1200 (s), 1181 (m), 1135 (s), 1084 (m), 1064 (m), 1033 (w), 989 (m), 951 (w), 934 (w), 913 (w), 898 (w), 830 (vs), 812 (s), 785 (m), 732 (s), 727 (s), 673 (m), 653 (m) cm–1.
Datasets