| SpectraBase Spectrum ID |
RrNKJ0kE9x |
| Name |
(2R,3R,4R)-4-Hydroxy-2-methyl-4-phenyl-thiochroman-3-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H15NOS |
| InChI |
InChI=1S/C17H15NOS/c1-12-15(11-18)17(19,13-7-3-2-4-8-13)14-9-5-6-10-16(14)20-12/h2-10,12,15,19H,1H3/t12-,15+,17-/m1/s1 |
| InChIKey |
TUEFLZZDVZZCSM-ISTRZQFTSA-N |
| Molecular Weight |
281.373 g/mol |
| SMILES |
O[C@]1([C@]([C@@](C)(Sc2c1cccc2)[H])(C#N)[H])c1ccccc1 |
| SPLASH |
splash10-03di-0090000000-471b2c22c50685f73c0c |
| Source of Spectrum |
KC-0-1551-32 |
| Synonyms |
(2R*,3S*,4R*)-4-Hydroxy-2-methyl-4-phenyl-3,4-dihydro-2H-1-benzothiopyran-3-carbonitrile
(2R,3R,4R)-4-hydroxy-2-methyl-4-phenyl-3,4-dihydro-2H-1-benzothiopyran-3-carbonitrile |
| Wiley ID |
828049 |
