| SpectraBase Spectrum ID |
LmFyWW50r7E |
| Name |
(1S)-2-[(3ar,6ar)-3,3A,4,5,6,6A-Hexahydro-2H-cyclopenta[B]pyrrol-1-yl]-1-phenyl-ethanethiol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.139470854 u |
| Formula |
C15H21NS |
| InChI |
InChI=1S/C15H21NS/c17-15(13-5-2-1-3-6-13)11-16-10-9-12-7-4-8-14(12)16/h1-3,5-6,12,14-15,17H,4,7-11H2/t12-,14-,15?/m1/s1 |
| InChIKey |
HLKDUGNJYOJPMO-QRYBPTEFSA-N |
| Molecular Weight |
247.400 g/mol |
| SMILES |
C(N1[C@]2([C@@](CCC2)([H])CC1)[H])C(C=1C=CC=CC1)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928889 |
![(1S)-2-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-phenyl-ethanethiol](/api/spectrum/LmFyWW50r7E/structure.png?h=300&w=458 "(1S)-2-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-phenyl-ethanethiol")
