| SpectraBase Spectrum ID |
8OQjBzPXmCl |
| Name |
2-methyl-4-phenyl-2H-1-benzothiopyran-3-carboxylic acid tert-butyl ester |
| Alternate Name(s) |
2-methyl-4-phenyl-2H-thiochromene-3-carboxylic acid tert-butyl ester
tert-butyl 2-methyl-4-phenyl-2H-thiochromene-3-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22O2S |
| InChI |
InChI=1S/C21H22O2S/c1-14-18(20(22)23-21(2,3)4)19(15-10-6-5-7-11-15)16-12-8-9-13-17(16)24-14/h5-14H,1-4H3 |
| InChIKey |
FGZWPSOFGFCYRQ-UHFFFAOYSA-N |
| Molecular Weight |
338.465 g/mol |
| SMILES |
C1(=C(c2ccccc2SC1C)c1ccccc1)C(OC(C)(C)C)=O |
| SPLASH |
splash10-014i-0090000000-fb0734603d96248bc635 |
| Source of Spectrum |
KC-0-1550-30 |
| Wiley ID |
828051 |
