| SpectraBase Spectrum ID |
KOCuzYT0SrY |
| Name |
4-(1,1,4,4,7-Pentamethyltetralin-6-yl)sulfonylbenzoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.186480616 u |
| Formula |
C24H30O4S |
| InChI |
InChI=1S/C24H30O4S/c1-7-28-22(25)17-8-10-18(11-9-17)29(26,27)21-15-20-19(14-16(21)2)23(3,4)12-13-24(20,5)6/h8-11,14-15H,7,12-13H2,1-6H3 |
| InChIKey |
GSXMUMXESYKUMH-UHFFFAOYSA-N |
| Molecular Weight |
414.560 g/mol |
| SMILES |
C(C=1C=CC(=CC1)S(=O)(=O)C=1C=C2C(=CC1C)C(CCC2(C)C)(C)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801763 |
