| SpectraBase Spectrum ID |
5hZXQMeSk1B |
| Name |
(2S)-2-[Benzyl(4-methylpent-3-enyl)amino]-4-methyl-valeric acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.235479240 u |
| Formula |
C20H31NO2 |
| InChI |
InChI=1S/C20H31NO2/c1-16(2)10-9-13-21(15-18-11-7-6-8-12-18)19(14-17(3)4)20(22)23-5/h6-8,10-12,17,19H,9,13-15H2,1-5H3/t19-/m0/s1 |
| InChIKey |
WNNAVFYTLUPVIB-IBGZPJMESA-N |
| Molecular Weight |
317.473 g/mol |
| SMILES |
[C@](N(CC1=CC=CC=C1)CCC=C(C)C)(C(=O)OC)(CC(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90496 |
![(2S)-2-[benzyl(4-methylpent-3-enyl)amino]-4-methyl-valeric acid methyl ester](/api/spectrum/5hZXQMeSk1B/structure.png?h=300&w=458 "(2S)-2-[benzyl(4-methylpent-3-enyl)amino]-4-methyl-valeric acid methyl ester")
