| SpectraBase Spectrum ID |
1PBpPq9Nqha |
| Name |
(1R,2R,5S)-4-[bis(methylthio)methyl]-3-cyano-5-hydroxy-5-phenyl-cyclopent-3-ene-1,2-dicarboxylic acid dimethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H21NO5S2 |
| InChI |
InChI=1S/C19H21NO5S2/c1-24-16(21)13-12(10-20)14(18(26-3)27-4)19(23,15(13)17(22)25-2)11-8-6-5-7-9-11/h5-9,13,15,18,23H,1-4H3/t13-,15-,19-/m0/s1 |
| InChIKey |
DRPRBMJDLWYUIN-RFUYNDQBSA-N |
| Molecular Weight |
407.499 g/mol |
| SMILES |
O[C@]1(C(=C([C@](C(=O)OC)([C@]1(C(=O)OC)[H])[H])C#N)C(SC)SC)c1ccccc1 |
| SPLASH |
splash10-0006-0009000000-9581ff26f6d93c8018fc |
| Source of Spectrum |
KC-0-2441-4 |
| Synonyms |
dimethyl (1R,2R,5S)-4-[bis(methylsulfanyl)methyl]-3-cyano-5-hydroxy-5-phenyl-cyclopent-3-ene-1,2-dicarboxylate
dimethyl (1R,2R,5S)-4-[bis(methylsulfanyl)methyl]-3-cyano-5-oxidanyl-5-phenyl-cyclopent-3-ene-1,2-dicarboxylate
(1R,2R,5S)-4-[bis(methylthio)methyl]-3-cyano-5-hydroxy-5-phenylcyclopent-3-ene-1,2-dicarboxylic acid dimethyl ester |
| Wiley ID |
782091 |
![(1R,2R,5S)-4-[bis(methylthio)methyl]-3-cyano-5-hydroxy-5-phenyl-cyclopent-3-ene-1,2-dicarboxylic acid dimethyl ester](/api/spectrum/1PBpPq9Nqha/structure.png?h=300&w=458 "(1R,2R,5S)-4-[bis(methylthio)methyl]-3-cyano-5-hydroxy-5-phenyl-cyclopent-3-ene-1,2-dicarboxylic acid dimethyl ester")
