| SpectraBase Spectrum ID |
AHmlSGPFr0P |
| Name |
(S)-N-Benzyl-2-[((S,R)-2-benzyloxymethyloxiranyl-methyl)-amino}-3-methylbutyamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.225642831 u |
| Formula |
C23H30N2O3 |
| InChI |
InChI=1S/C23H30N2O3/c1-18(2)21(22(26)24-13-19-9-5-3-6-10-19)25-15-23(17-28-23)16-27-14-20-11-7-4-8-12-20/h3-12,18,21,25H,13-17H2,1-2H3,(H,24,26)/t21-,23?/m0/s1 |
| InChIKey |
OXXDEGWHRZDXPZ-BBQAJUCSSA-N |
| Molecular Weight |
382.504 g/mol |
| SMILES |
C1(OC1)(CN[C@](C(NCC1=CC=CC=C1)=O)(C(C)C)[H])COCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877388 |
