| SpectraBase Spectrum ID |
HjASp2US0Il |
| Name |
2-methyl-3-methylol-thiochromen-4-one |
| Alternate Name(s) |
3-(hydroxymethyl)-2-methyl-1-benzothiopyran-4-one
3-(hydroxymethyl)-2-methyl-thiochromen-4-one |
| CAS Registry Number |
29080-55-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H10O2S |
| InChI |
InChI=1S/C11H10O2S/c1-7-9(6-12)11(13)8-4-2-3-5-10(8)14-7/h2-5,12H,6H2,1H3 |
| InChIKey |
CRMJVVWCJTZHCH-UHFFFAOYSA-N |
| Molecular Weight |
206.259 g/mol |
| SMILES |
OCC=1C(=O)c2c(cccc2)SC1C |
| SPLASH |
splash10-0a4r-0960000000-8ca4ebb31d83f5962973 |
| Source of Spectrum |
AJ-57-2324-3 |
| Wiley ID |
1204149 |
