| SpectraBase Spectrum ID |
8SwzdDAGz1N |
| Name |
4-Tetradecyloxybenzenethiolic acid, S-(4-pentylphenyl)- ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.337501958 u |
| Formula |
C32H48O2S |
| InChI |
InChI=1S/C32H48O2S/c1-3-5-7-8-9-10-11-12-13-14-15-17-27-34-30-23-21-29(22-24-30)32(33)35-31-25-19-28(20-26-31)18-16-6-4-2/h19-26H,3-18,27H2,1-2H3 |
| InChIKey |
GNSNEFSMVYSNMO-UHFFFAOYSA-N |
| Molecular Weight |
496.794 g/mol |
| SMILES |
C1(=CC=C(C=C1)OCCCCCCCCCCCCCC)C(=O)SC1=CC=C(C=C1)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863828 |
