| SpectraBase Spectrum ID |
3bVEDRcVEx0 |
| Name |
1-(3,4-Dimethoxyphenyl)-7-(methylthio)indane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.118401056 u |
| Formula |
C18H20O2S |
| InChI |
InChI=1S/C18H20O2S/c1-19-15-10-8-13(11-16(15)20-2)14-9-7-12-5-4-6-17(21-3)18(12)14/h4-6,8,10-11,14H,7,9H2,1-3H3 |
| InChIKey |
NECJROORZUNWFX-UHFFFAOYSA-N |
| SMILES |
C1(CCC=2C=CC=C(C12)SC)C=1C=C(C(=CC1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963984 |
