| SpectraBase Spectrum ID |
GHoBo18sch6 |
| Name |
7-methoxy-2,2-dimethyl-3H-1-benzothiopyran-4-one |
| Alternate Name(s) |
7-methoxy-2,2-dimethyl-3H-thiochromen-4-one
7-methoxy-2,2-dimethyl-thiochroman-4-one |
| CAS Registry Number |
64793-90-4 |
| 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)7-10(13)9-5-4-8(14-3)6-11(9)15-12/h4-6H,7H2,1-3H3 |
| InChIKey |
AWOGOLRECAWFCW-UHFFFAOYSA-N |
| Molecular Weight |
222.302 g/mol |
| SMILES |
c12c(C(=O)CC(S2)(C)C)ccc(c1)OC |
| SPLASH |
splash10-014i-0920000000-5d1bb917f033d6f2b4b5 |
| Source of Spectrum |
Y-20-1116-0 |
| Wiley ID |
1222121 |
