| SpectraBase Spectrum ID |
9FVxfu4XyUa |
| Name |
(3R)-3-[(S)-(4-nitrophenyl)-oxidanyl-methyl]-2,3-dihydrothiochromen-4-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H13NO4S |
| InChI |
InChI=1S/C16H13NO4S/c18-15(10-5-7-11(8-6-10)17(20)21)13-9-22-14-4-2-1-3-12(14)16(13)19/h1-8,13,15,18H,9H2/t13-,15-/m1/s1 |
| InChIKey |
MKKVDNUDQVREOA-UKRRQHHQSA-N |
| Molecular Weight |
315.343 g/mol |
| SMILES |
O[C@@]([C@@]1(C(c2ccccc2SC1)=O)[H])(c1ccc(N(=O)=O)cc1)[H] |
| SPLASH |
splash10-000i-0900000000-d46f4bb6bba3ff9242e3 |
| Source of Spectrum |
K1-2003-4861-0 |
| Synonyms |
(3R)-3-[(S)-hydroxy-(4-nitrophenyl)methyl]-2,3-dihydro-1-benzothiopyran-4-one
(3R)-3-[(S)-hydroxy-(4-nitrophenyl)methyl]-2,3-dihydrothiochromen-4-one
(3R)-3-[(S)-hydroxy-(4-nitrophenyl)methyl]thiochroman-4-one |
| Wiley ID |
1521740 |
![(3R)-3-[(S)-(4-nitrophenyl)-oxidanyl-methyl]-2,3-dihydrothiochromen-4-one](/api/spectrum/9FVxfu4XyUa/structure.png?h=300&w=458 "(3R)-3-[(S)-(4-nitrophenyl)-oxidanyl-methyl]-2,3-dihydrothiochromen-4-one")
