| SpectraBase Spectrum ID |
KLzjVNaEvoo |
| Name |
Benzenemethanol, 2-methoxy-.alpha.-[1-[(4-methylphenyl)sulfinyl]-2-propenyl]-, [.alpha.R*[S*(R*)]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.113315675 u |
| Formula |
C18H20O3S |
| InChI |
InChI=1S/C18H20O3S/c1-4-17(22(20)14-11-9-13(2)10-12-14)18(19)15-7-5-6-8-16(15)21-3/h4-12,17-19H,1H2,2-3H3 |
| InChIKey |
MZBGZHGLVCLOJF-UHFFFAOYSA-N |
| Molecular Weight |
316.415 g/mol |
| SMILES |
C(S(C=1C=CC(=CC1)C)=O)(C(C=1C(OC)=CC=CC1)O)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849068 |
![Benzenemethanol, 2-methoxy-.alpha.-[1-[(4-methylphenyl)sulfinyl]-2-propenyl]-, [.alpha.R*[S*(R*)]]-](/api/spectrum/KLzjVNaEvoo/structure.png?h=300&w=458 "Benzenemethanol, 2-methoxy-.alpha.-[1-[(4-methylphenyl)sulfinyl]-2-propenyl]-, [.alpha.R*[S*(R*)]]-")
