| SpectraBase Spectrum ID |
Fvmr7xlvDEe |
| Name |
(E)-[(2S)-2-(benzylthio)-4-phenyl-butylidene]-[(2S)-2-(methoxymethyl)pyrrolidino]amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.207884767 u |
| Formula |
C23H30N2OS |
| InChI |
InChI=1S/C23H30N2OS/c1-26-18-22-13-8-16-25(22)24-17-23(15-14-20-9-4-2-5-10-20)27-19-21-11-6-3-7-12-21/h2-7,9-12,17,22-23H,8,13-16,18-19H2,1H3/b24-17+/t22-,23-/m0/s1 |
| InChIKey |
OLBIMJKNLPWEQV-NMHVKZKSSA-N |
| Molecular Weight |
382.566 g/mol |
| SMILES |
[C@@](\C=N\N1[C@](COC)(CCC1)[H])(SCC=1C=CC=CC1)(CCC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896548 |
![(E)-[(2S)-2-(benzylthio)-4-phenyl-butylidene]-[(2S)-2-(methoxymethyl)pyrrolidino]amine](/api/spectrum/Fvmr7xlvDEe/structure.png?h=300&w=458 "(E)-[(2S)-2-(benzylthio)-4-phenyl-butylidene]-[(2S)-2-(methoxymethyl)pyrrolidino]amine")
