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

Formula: C12H17ClO2


Canonical SMILES:
COCOc1cc(C(C)C)c(cc1C)Cl
InChI:
InChI=1S/C12H17ClO2/c1-8(2)10-6-12(15-7-14-4)9(3)5-11(10)13/h5-6,8H,7H2,1-4H3
InChIKey:
LRPMRIMIWRGLKI-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-11-03This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

infrared absorption spectroscopy (IR) 
Author: Simone Gräßle1,2

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

2. Institute of Biological and Chemical Systems - Functional Molecular Systems, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
IR (ATR, ṽ) = 2961 (w), 2928 (w), 2900 (w), 2870 (w), 2826 (w), 1609 (w), 1568 (w), 1490 (vs), 1460 (w), 1451 (m), 1387 (m), 1371 (m), 1340 (m), 1283 (w), 1254 (s), 1210 (w), 1149 (vs), 1136 (vs), 1084 (vs), 1074 (vs), 1013 (vs), 952 (vs), 922 (vs), 877 (s), 788 (s), 707 (m), 663 (m), 639 (m), 595 (s), 467 (m), 424 (w), 385 (m) cm–1.
Datasets