| SpectraBase Spectrum ID |
LUs6neveNEi |
| Name |
(1S)-1-[(2S)-2-(Chloromethyl)-2-oxiranyl]-3-methyl-N,N-bis(phenylmethyl)-1-butanamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.185942225 u |
| Formula |
C22H28ClNO |
| InChI |
InChI=1S/C22H28ClNO/c1-18(2)13-21(22(16-23)17-25-22)24(14-19-9-5-3-6-10-19)15-20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3/t21-,22+/m0/s1 |
| InChIKey |
LALGQLRPOAMMPR-FCHUYYIVSA-N |
| Molecular Weight |
357.925 g/mol |
| SMILES |
[C@@]1(OC1)([C@@](N(CC=1C=CC=CC1)CC1=CC=CC=C1)(CC(C)C)[H])CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959968 |
![(1S)-1-[(2S)-2-(chloromethyl)-2-oxiranyl]-3-methyl-N,N-bis(phenylmethyl)-1-butanamine](/api/spectrum/LUs6neveNEi/structure.png?h=300&w=458 "(1S)-1-[(2S)-2-(chloromethyl)-2-oxiranyl]-3-methyl-N,N-bis(phenylmethyl)-1-butanamine")
