| SpectraBase Spectrum ID |
KAPuTDuizhU |
| Name |
2(S)-Amino-3-methyl-N,N-dioctylbutyramide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.345364044 u |
| Formula |
C21H44N2O |
| InChI |
InChI=1S/C21H44N2O/c1-5-7-9-11-13-15-17-23(21(24)20(22)19(3)4)18-16-14-12-10-8-6-2/h19-20H,5-18,22H2,1-4H3/t20-/m0/s1 |
| InChIKey |
VCHQKQNPHZNOJF-FQEVSTJZSA-N |
| Molecular Weight |
340.596 g/mol |
| SMILES |
CC(C)[C@](N)(C(N(CCCCCCCC)CCCCCCCC)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895014 |
