| SpectraBase Spectrum ID |
KhMoN1oHxUE |
| Name |
Ethylthio .gamma.-(p-nitrophenyl)-.alpha.-methylene-.beta.-hydropropanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NO4S |
| InChI |
InChI=1S/C12H13NO4S/c1-3-18-12(15)8(2)11(14)9-4-6-10(7-5-9)13(16)17/h4-7,11,14H,2-3H2,1H3 |
| InChIKey |
WKIZFDZSQGWINU-UHFFFAOYSA-N |
| Molecular Weight |
267.299 g/mol |
| SMILES |
OC(C(C(=O)SCC)=C)c1ccc(N(=O)=O)cc1 |
| SPLASH |
splash10-03di-0900000000-02f15990c68e01c74a59 |
| Source of Spectrum |
D1-1999-198-1 |
| Synonyms |
2-[hydroxy-(4-nitrophenyl)methyl]-2-propenethioic acid S-ethyl ester
2-[hydroxy-(4-nitrophenyl)methyl]prop-2-enethioic acid S-ethyl ester
S-ethyl 2-[(4-nitrophenyl)-oxidanyl-methyl]prop-2-enethioate
S-ethyl 2-[hydroxy-(4-nitrophenyl)methyl]prop-2-enethioate |
| Wiley ID |
835300 |
