| SpectraBase Spectrum ID |
93Bdzf66hoB |
| Name |
3-(chloromethyl)-4-keto-2-phenyl-thiochromene-8-carboxylic acid methyl ester |
| CAS Registry Number |
93367-32-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H13ClO3S |
| InChI |
InChI=1S/C18H13ClO3S/c1-22-18(21)13-9-5-8-12-15(20)14(10-19)16(23-17(12)13)11-6-3-2-4-7-11/h2-9H,10H2,1H3 |
| InChIKey |
VJMKWTSCRFIJFR-UHFFFAOYSA-N |
| Molecular Weight |
344.812 g/mol |
| SMILES |
COC(=O)c1c2c(C(=O)C(CCl)=C(S2)c2ccccc2)ccc1 |
| SPLASH |
splash10-0a4i-0009000000-aa9696e6974978b48a26 |
| Source of Spectrum |
AJ-57-2324-2 |
| Synonyms |
3-(chloromethyl)-4-oxo-2-phenyl-1-benzothiopyran-8-carboxylic acid methyl ester
methyl 3-(chloromethyl)-4-oxidanylidene-2-phenyl-thiochromene-8-carboxylate
methyl 3-(chloromethyl)-4-oxo-2-phenyl-thiochromene-8-carboxylate |
| Wiley ID |
1337794 |
