SpectraBase Spectrum ID |
BRskTz0KxLb |
Name |
4,5-(Methylenedioxy)-2-aminoindan hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
213.055656328 u |
Formula |
C10H12ClNO2 |
InChI |
InChI=1S/C10H11NO2.ClH/c11-7-3-6-1-2-9-10(8(6)4-7)13-5-12-9;/h1-2,7H,3-5,11H2;1H |
InChIKey |
PVGSGXLMJCEIEL-UHFFFAOYSA-N |
Molecular Weight |
213.664 g/mol |
SMILES |
Cl.NC1CC=2C=CC=3OCOC3C2C1 |
Spectrum/Structure Validation Score (Raman) |
0.953714 |