SpectraBase Spectrum ID |
8kfGfpvvzFA |
Name |
3,4-Dimethoxyphenethylamine, N-methoxycarbonyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
239.115758027 u |
Formula |
C12H17NO4 |
InChI |
InChI=1S/C12H17NO4/c1-15-10-5-4-9(8-11(10)16-2)6-7-13-12(14)17-3/h4-5,8H,6-7H2,1-3H3,(H,13,14) |
InChIKey |
QWVUVTBOECVPCA-UHFFFAOYSA-N |
Molecular Weight |
239.271 g/mol |
SMILES |
C(OC)(=O)NCCC=1C=C(OC)C(OC)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977286 |