| SpectraBase Spectrum ID |
5n4G8m0kSZQ |
| Name |
Benzenecarbothioic acid, 2,4,6-triethyl-, S-(2-hydroxy-2-phenylbutyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.196651378 u |
| Formula |
C23H30O2S |
| InChI |
InChI=1S/C23H30O2S/c1-5-17-14-18(6-2)21(19(7-3)15-17)22(24)26-16-23(25,8-4)20-12-10-9-11-13-20/h9-15,25H,5-8,16H2,1-4H3 |
| InChIKey |
DBVCDGTZHWWAFP-UHFFFAOYSA-N |
| Molecular Weight |
370.551 g/mol |
| SMILES |
C=1(C(=CC(=CC1CC)CC)CC)C(SCC(C1=CC=CC=C1)(O)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948062 |
