SpectraBase Spectrum ID |
IdmHg52T43s |
Name |
Valeramide, 5-phenyl-N-propyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
219.162314299 u |
Formula |
C14H21NO |
InChI |
InChI=1S/C14H21NO/c1-2-12-15-14(16)11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,15,16) |
InChIKey |
PJTKXWJZUQUOSU-UHFFFAOYSA-N |
Molecular Weight |
219.328 g/mol |
SMILES |
C(=O)(NCCC)CCCCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975168 |