| SpectraBase Spectrum ID |
81mTefp01hU |
| Name |
Benzenecarbodithioic acid, 5-(1,1-dimethylethyl)-2-methyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.084992928 u |
| Formula |
C13H18S2 |
| InChI |
InChI=1S/C13H18S2/c1-9-6-7-10(13(2,3)4)8-11(9)12(14)15-5/h6-8H,1-5H3 |
| InChIKey |
AENITPQVTPBUPM-UHFFFAOYSA-N |
| Molecular Weight |
238.407 g/mol |
| SMILES |
C1(=CC(C(C)(C)C)=CC=C1C)C(=S)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941501 |
