| SpectraBase Spectrum ID |
7PvIBIsz8bt |
| Name |
(2S,3S,4R)-4-Hydroxy-2-methyl-4-phenyl-thiochroman-3-carboxylic acid tert-butyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24O3S |
| InChI |
InChI=1S/C21H24O3S/c1-14-18(19(22)24-20(2,3)4)21(23,15-10-6-5-7-11-15)16-12-8-9-13-17(16)25-14/h5-14,18,23H,1-4H3/t14-,18+,21+/m0/s1 |
| InChIKey |
OQZVOVGPMOOCAQ-FIKMYACPSA-N |
| Molecular Weight |
356.480 g/mol |
| SMILES |
O[C@]1([C@@](C(OC(C)(C)C)=O)([C@](C)(Sc2c1cccc2)[H])[H])c1ccccc1 |
| SPLASH |
splash10-000i-0090000000-8454fb743a0ada2b4f6a |
| Source of Spectrum |
KC-0-1550-28 |
| Synonyms |
(2S,3S,4R)-4-hydroxy-2-methyl-4-phenyl-2,3-dihydro-1-benzothiopyran-3-carboxylic acid tert-butyl ester
tert-butyl (2S,3S,4R)-4-hydroxy-2-methyl-4-phenyl-2,3-dihydrothiochromene-3-carboxylate
tert-butyl (2S,3S,4R)-4-hydroxy-2-methyl-4-phenyl-thiochromane-3-carboxylate |
| Wiley ID |
828053 |
