SpectraBase Spectrum ID |
GUDU9XcAOdo |
Name |
Carbamic acid, N-methyl-N-(3-methylbutyl)-, 2-ethylhexyl 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/c1-6-8-9-14(7-2)12-18-15(17)16(5)11-10-13(3)4/h13-14H,6-12H2,1-5H3 |
InChIKey |
ZPIQNBRDOBCKPJ-UHFFFAOYSA-N |
Molecular Weight |
257.418 g/mol |
SMILES |
C(CN(C(OCC(CCCC)CC)=O)C)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94951 |