| SpectraBase Spectrum ID |
JBJsXw04weo |
| Name |
1H-Indene, 1-ethyl-3-methyl-2-(phenylthio)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.112921754 u |
| Formula |
C18H18S |
| InChI |
InChI=1S/C18H18S/c1-3-15-17-12-8-7-11-16(17)13(2)18(15)19-14-9-5-4-6-10-14/h4-12,15H,3H2,1-2H3 |
| InChIKey |
QORRXDUGRNOFAR-UHFFFAOYSA-N |
| Molecular Weight |
266.402 g/mol |
| SMILES |
C1(=C(C=2C=CC=CC2C1CC)C)SC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89911 |
