| SpectraBase Spectrum ID |
GjKArW88tQP |
| Name |
2,5-Dimethyl-5-methoxy-3-methylthio-4-(3,4-methylenedioxyphenyl)-2-cyclopentene-1-one |
| Alternate Name(s) |
4-(1,3-benzodioxol-5-yl)-5-methoxy-2,5-dimethyl-3-(methylsulfanyl)-2-cyclopenten-1-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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)c1cc2c(cc1)OCO2)SC)C)=O |
| SPLASH |
splash10-056r-0095000000-610a0dee14af878f03f6 |
| Source of Spectrum |
SO-0-283-4 |
| Wiley ID |
1539870 |
