SpectraBase Spectrum ID |
7lDgTgFKxgr |
Name |
2-Methyl-2-(3,4-methylenedioxyphenyl)propan-1-amine prop |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
249.136493473 u |
Formula |
C14H19NO3 |
InChI |
InChI=1S/C14H19NO3/c1-4-13(16)15-8-14(2,3)10-5-6-11-12(7-10)18-9-17-11/h5-7H,4,8-9H2,1-3H3,(H,15,16) |
InChIKey |
AXKZIBWYMZQWRV-UHFFFAOYSA-N |
Molecular Weight |
249.310 g/mol |
SMILES |
C(C=1C=C2C(=CC1)OCO2)(CNC(CC)=O)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971063 |