| SpectraBase Spectrum ID |
88NiELS9eTQ |
| Name |
Trithiocarbonic acid, tert-butyl 2,3,4,5,6-pentamethylbenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.119664359 u |
| Formula |
C17H26S3 |
| InChI |
InChI=1S/C17H26S3/c1-10-11(2)13(4)15(14(5)12(10)3)9-19-16(18)20-17(6,7)8/h9H2,1-8H3 |
| InChIKey |
CNMUPRAHVAOWGG-UHFFFAOYSA-N |
| Molecular Weight |
326.575 g/mol |
| SMILES |
C1(=C(C(=C(C(=C1C)C)C)C)C)CSC(SC(C)(C)C)=S |
| Spectrum/Structure Validation Score (Raman) |
0.98772 |
