| SpectraBase Spectrum ID |
4iXJxMCiUNH |
| Name |
L-Isoleucine, N,N-di(N-butyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.235479240 u |
| Formula |
C15H31NO2 |
| InChI |
InChI=1S/C15H31NO2/c1-6-9-11-16(12-10-7-2)14(13(4)8-3)15(17)18-5/h13-14H,6-12H2,1-5H3 |
| InChIKey |
ZDRNRENDIDKZIV-UHFFFAOYSA-N |
| Molecular Weight |
257.418 g/mol |
| SMILES |
CCC(C(C(OC)=O)N(CCCC)CCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98283 |
