| SpectraBase Spectrum ID |
Ac6hP08nB9D |
| Name |
Methyl threo-2-hydroxy-2-( 5'-ethyl-3'-nitro-2'-thienylthio)-3-( 4'-methoxyphenyl)propionate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H19NO6S2 |
| InChI |
InChI=1S/C17H19NO6S2/c1-4-13-9-14(18(21)22)15(25-13)26-17(20,16(19)24-3)10-11-5-7-12(23-2)8-6-11/h5-9,20H,4,10H2,1-3H3 |
| InChIKey |
CJAIQGWFQIYNLD-UHFFFAOYSA-N |
| Molecular Weight |
397.460 g/mol |
| SMILES |
OC(Sc1c(N(=O)=O)cc(CC)s1)(C(=O)OC)Cc1ccc(cc1)OC |
| SPLASH |
splash10-00di-0900000000-9f4c38a89bb11535d7de |
| Source of Spectrum |
AH-126-575-12 |
| Synonyms |
methyl 2-[(5-ethyl-3-nitro-2-thienyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate |
| Wiley ID |
1367866 |
