| SpectraBase Spectrum ID |
Hpz4AyVYrQ4 |
| Name |
o-(5-Methoxy-1,2,3,3A,8,8A-hexahydrocyclopenta[A]inden-2-yl) o-p-tolyl thionocarbonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.128965739 u |
| Formula |
C21H22O3S |
| InChI |
InChI=1S/C21H22O3S/c1-13-3-6-16(7-4-13)23-21(25)24-18-10-15-9-14-5-8-17(22-2)11-19(14)20(15)12-18/h3-8,11,15,18,20H,9-10,12H2,1-2H3 |
| InChIKey |
KXVJKQYCOHCYBS-UHFFFAOYSA-N |
| Molecular Weight |
354.464 g/mol |
| SMILES |
C1=2C3C(CC(C3)OC(=S)OC=3C=CC(=CC3)C)CC2C=CC(=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847152 |
![o-(5-Methoxy-1,2,3,3A,8,8A-hexahydrocyclopenta[A]inden-2-yl) o-p-tolyl thionocarbonate](/api/spectrum/Hpz4AyVYrQ4/structure.png?h=300&w=458 "o-(5-Methoxy-1,2,3,3A,8,8A-hexahydrocyclopenta[A]inden-2-yl) o-p-tolyl thionocarbonate")
