SpectraBase Spectrum ID |
HJ8gNW8SFea |
Name |
Glutaric acid, monoamide, N-(2-phenylpropyl)-, propyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
291.183443666 u |
Formula |
C17H25NO3 |
InChI |
InChI=1S/C17H25NO3/c1-3-12-21-17(20)11-7-10-16(19)18-13-14(2)15-8-5-4-6-9-15/h4-6,8-9,14H,3,7,10-13H2,1-2H3,(H,18,19) |
InChIKey |
ACHOOMBRYHOMCZ-UHFFFAOYSA-N |
Molecular Weight |
291.391 g/mol |
SMILES |
CCCOC(CCCC(NCC(C)C1=CC=CC=C1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900988 |