| SpectraBase Spectrum ID |
BmlrxffYPd5 |
| Name |
p-(Hexadecylthio)benzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.259251636 u |
| Formula |
C23H38O2S |
| InChI |
InChI=1S/C23H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-22-18-16-21(17-19-22)23(24)25/h16-19H,2-15,20H2,1H3,(H,24,25) |
| InChIKey |
PGEKRBLLRYOEES-UHFFFAOYSA-N |
| Molecular Weight |
378.615 g/mol |
| SMILES |
OC(C1=CC=C(C=C1)SCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.911995 |
