SpectraBase Spectrum ID |
36fDEMPB32 |
Name |
Carbonic acid, monoamide, N-propyl-N-isobutyl-, benzyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
249.172878983 u |
Formula |
C15H23NO2 |
InChI |
InChI=1S/C15H23NO2/c1-4-10-16(11-13(2)3)15(17)18-12-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3 |
InChIKey |
MIEOLHQYFPKADN-UHFFFAOYSA-N |
Molecular Weight |
249.354 g/mol |
SMILES |
C(N(CCC)CC(C)C)(=O)OCC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861552 |