| SpectraBase Spectrum ID |
La880XLAuRL |
| Name |
L-Isoleucine, N,N-di(N-propyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.204179111 u |
| Formula |
C13H27NO2 |
| InChI |
InChI=1S/C13H27NO2/c1-6-9-14(10-7-2)12(11(4)8-3)13(15)16-5/h11-12H,6-10H2,1-5H3 |
| InChIKey |
VTEZEJCGLXPNBR-UHFFFAOYSA-N |
| Molecular Weight |
229.364 g/mol |
| SMILES |
CCC(C(C(OC)=O)N(CCC)CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95108 |
