| SpectraBase Spectrum ID |
9kxpXpeuxvC |
| Name |
Benzenecarbodithioic acid, 2,4-bis(1,1-dimethylethyl)-6-methyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.147593185 u |
| Formula |
C17H26S2 |
| InChI |
InChI=1S/C17H26S2/c1-11-9-12(16(2,3)4)10-13(17(5,6)7)14(11)15(18)19-8/h9-10H,1-8H3 |
| InChIKey |
ZLVCDHPRMDJIJB-UHFFFAOYSA-N |
| Molecular Weight |
294.515 g/mol |
| SMILES |
C=1(C(=C(C)C=C(C1)C(C)(C)C)C(=S)SC)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917861 |
