| SpectraBase Spectrum ID |
7pntBK4MKfz |
| Name |
3-Acetoxymethyl-2-methyl-4H-1-benzopyran-4-thione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12O3S |
| InChI |
InChI=1S/C13H12O3S/c1-8-11(7-15-9(2)14)13(17)10-5-3-4-6-12(10)16-8/h3-6H,7H2,1-2H3 |
| InChIKey |
CKMYPIXALKFHQR-UHFFFAOYSA-N |
| Molecular Weight |
248.296 g/mol |
| SMILES |
C=1(C(c2ccccc2OC1C)=S)COC(=O)C |
| SPLASH |
splash10-0002-0090000000-dbffa8bed29779a67a00 |
| Source of Spectrum |
SO-0-249-5 |
| Synonyms |
(2-methyl-4-thioxo-4H-chromen-3-yl)methyl acetate |
| Wiley ID |
877246 |
