SpectraBase Spectrum ID |
AWW3uEJ9tfy |
Name |
Phentemine, N-propyloxycarbonyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
235.157228918 u |
Formula |
C14H21NO2 |
InChI |
InChI=1S/C14H21NO2/c1-4-10-17-13(16)15-14(2,3)11-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,15,16) |
InChIKey |
NUOIHVQVAOFTOB-UHFFFAOYSA-N |
Molecular Weight |
235.327 g/mol |
SMILES |
C1=CC=CC(=C1)CC(NC(OCCC)=O)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976308 |