| SpectraBase Spectrum ID |
8xfsiuDjio7 |
| Name |
5-Hydroxy-4-[(4'-methoxyphenyl)thio]-6-(2'-propenyl)-1,3-benzodioxole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.076930165 u |
| Formula |
C17H16O4S |
| InChI |
InChI=1S/C17H16O4S/c1-3-4-11-9-14-16(21-10-20-14)17(15(11)18)22-13-7-5-12(19-2)6-8-13/h3,5-9,18H,1,4,10H2,2H3 |
| InChIKey |
ZPFFWEBPZONEBO-UHFFFAOYSA-N |
| Molecular Weight |
316.371 g/mol |
| SMILES |
C1(=C2C(OCO2)=CC(=C1O)CC=C)SC1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823097 |
![5-Hydroxy-4-[(4'-methoxyphenyl)thio]-6-(2'-propenyl)-1,3-benzodioxole](/api/spectrum/8xfsiuDjio7/structure.png?h=300&w=458 "5-Hydroxy-4-[(4'-methoxyphenyl)thio]-6-(2'-propenyl)-1,3-benzodioxole")
