| SpectraBase Spectrum ID |
4CFt1jrfEEZ |
| Name |
3-(3,4-Dimethoxyphenyl)tetrahydrothiopyran-4-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O3S |
| InChI |
InChI=1S/C13H16O3S/c1-15-12-4-3-9(7-13(12)16-2)10-8-17-6-5-11(10)14/h3-4,7,10H,5-6,8H2,1-2H3 |
| InChIKey |
IRBPVNUOLLNXCV-UHFFFAOYSA-N |
| Molecular Weight |
252.328 g/mol |
| SMILES |
C1C(C(CCS1)=O)c1cc(c(cc1)OC)OC |
| SPLASH |
splash10-03di-0940000000-244bdeb1106a3cda4dcf |
| Source of Spectrum |
K1-0-4048-1 |
| Synonyms |
3-(3,4-dimethoxyphenyl)-4-thianone |
| Wiley ID |
1589397 |
