| SpectraBase Spectrum ID |
4hDFxAIchE |
| Name |
(3R,4R)-7-((E)-Benzylidene)-3-mercapto-1,4-diphenyl-1,3,4,5,6,7-hexahydro-2H-cyclopenta[b]pyridin-2-one |
| Appearance |
Yellow powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H23NOS |
| InChI |
InChI=1S/C27H23NOS/c29-27-26(30)24(20-12-6-2-7-13-20)23-17-16-21(18-19-10-4-1-5-11-19)25(23)28(27)22-14-8-3-9-15-22/h1-15,18,24,26,30H,16-17H2/b21-18+/t24-,26-/m1/s1 |
| InChIKey |
JPSRZOQVAYMYPC-MUEFHYHUSA-N |
| Instrument Name |
Kratos MS equipment or Varian MAT 311A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2756 |
| Molecular Weight |
409.547 g/mol |
| SMILES |
S[C@]1(C(N(C2=C(CC\C2=C\c2ccccc2)[C@]1(c1ccccc1)[H])c1ccccc1)=O)[H] |
| SPLASH |
splash10-014i-3900400000-4af0b918159d230bcd4a |
| Source of Spectrum |
Y-54-1773-7 |
| Thin-Layer Chromatography |
Rf = 0.15 (pet.ether (40:60)/ethyl acetate, 8:2) |
| Wiley ID |
1878333 |
![(3R,4R)-7-((E)-Benzylidene)-3-mercapto-1,4-diphenyl-1,3,4,5,6,7-hexahydro-2H-cyclopenta[b]pyridin-2-one](/api/spectrum/4hDFxAIchE/structure.png?h=300&w=458 "(3R,4R)-7-((E)-Benzylidene)-3-mercapto-1,4-diphenyl-1,3,4,5,6,7-hexahydro-2H-cyclopenta[b]pyridin-2-one")
