| SpectraBase Spectrum ID |
AbbvXRvXcmx |
| Name |
5-methoxy-2,2-dimethyl-3H-1-benzothiopyran-4-one |
| Alternate Name(s) |
5-methoxy-2,2-dimethyl-3H-thiochromen-4-one
5-methoxy-2,2-dimethyl-thiochroman-4-one |
| CAS Registry Number |
64793-87-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O2S |
| InChI |
InChI=1S/C12H14O2S/c1-12(2)7-8(13)11-9(14-3)5-4-6-10(11)15-12/h4-6H,7H2,1-3H3 |
| InChIKey |
XDMMUIYCMMJYLS-UHFFFAOYSA-N |
| Molecular Weight |
222.302 g/mol |
| SMILES |
c12C(CC(Sc2cccc1OC)(C)C)=O |
| SPLASH |
splash10-014i-0930000000-005edb1fc344c77b3dc4 |
| Source of Spectrum |
Y-20-1116-0 |
| Wiley ID |
1222120 |
