SpectraBase Spectrum ID |
BrWr2NwXYbf |
Name |
Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, decyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
401.292994117 u |
Formula |
C25H39NO3 |
InChI |
InChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-11-20-29-25(28)19-13-18-24(27)26-23-17-12-15-21-14-9-10-16-22(21)23/h9-10,14,16,23H,2-8,11-13,15,17-20H2,1H3,(H,26,27) |
InChIKey |
QMOJNMRMWCXDHM-UHFFFAOYSA-N |
Molecular Weight |
401.591 g/mol |
SMILES |
CCCCCCCCCCOC(CCCC(NC1C2=C(CCC1)C=CC=C2)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849711 |