| SpectraBase Spectrum ID |
Ghn76kDkVAE |
| Name |
(4-Cyanobenzyl) 3-[(4-methoxyphenyl)]oxy]propenyl sulfide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.113650028 u |
| Formula |
C19H19NO2S |
| InChI |
InChI=1S/C19H19NO2S/c1-21-19-9-7-17(8-10-19)14-22-11-2-12-23-15-18-5-3-16(13-20)4-6-18/h2-10,12H,11,14-15H2,1H3/b12-2- |
| InChIKey |
QHVBUMUEENIOKJ-OIXVIMQBSA-N |
| Molecular Weight |
325.426 g/mol |
| SMILES |
C(#N)C1=CC=C(C=C1)CS\C=C/COCC1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96062 |
![(4-Cyanobenzyl) 3-[(4-methoxyphenyl)]oxy]propenyl sulfide](/api/spectrum/Ghn76kDkVAE/structure.png?h=300&w=458 "(4-Cyanobenzyl) 3-[(4-methoxyphenyl)]oxy]propenyl sulfide")
