SpectraBase Spectrum ID |
1d3g5tzPzCK |
Name |
Phenylpropylamine, N-acetyl-3,4-dimethoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
237.136493473 u |
Formula |
C13H19NO3 |
InChI |
InChI=1S/C13H19NO3/c1-10(15)14-8-4-5-11-6-7-12(16-2)13(9-11)17-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15) |
InChIKey |
WUCKQUZHYOUXFJ-UHFFFAOYSA-N |
Molecular Weight |
237.299 g/mol |
SMILES |
C1=C(C=C(C(=C1)OC)OC)CCCNC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983286 |