| SpectraBase Spectrum ID |
ApYFobBNWMK |
| Name |
2,5-Dimethyl-5-methoxy-3-methylthio-4-(3,4-methylenedioxyphenyl)-2-cyclopentene-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.092580230 u |
| Formula |
C16H18O4S |
| InChI |
InChI=1S/C16H18O4S/c1-9-14(21-4)13(16(2,18-3)15(9)17)10-5-6-11-12(7-10)20-8-19-11/h5-7,13H,8H2,1-4H3 |
| InChIKey |
HRDDZGNHCNYPMU-UHFFFAOYSA-N |
| Molecular Weight |
306.376 g/mol |
| SMILES |
C1(C(=C(C(C1(OC)C)C=1C=C2C(=CC1)OCO2)SC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971086 |
