SpectraBase Spectrum ID |
6un7p9ozGUZ |
Name |
1-Methylamino-1-(3,4-methylenedioxyphenyl)ethane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
179.094628661 u |
Formula |
C10H13NO2 |
InChI |
InChI=1S/C10H13NO2/c1-7(11-2)8-3-4-9-10(5-8)13-6-12-9/h3-5,7,11H,6H2,1-2H3 |
InChIKey |
USAUUVXZKYYZIL-UHFFFAOYSA-N |
Molecular Weight |
179.219 g/mol |
SMILES |
C(C)(C1=CC2=C(C=C1)OCO2)NC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968937 |