| SpectraBase Spectrum ID |
IqOmhE36W5b |
| Name |
1,3-Benzodioxole-5-ethanamine, 7-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
195.089543280 u |
| Formula |
C10H13NO3 |
| InChI |
InChI=1S/C10H13NO3/c1-12-8-4-7(2-3-11)5-9-10(8)14-6-13-9/h4-5H,2-3,6,11H2,1H3 |
| InChIKey |
ORXQUAPZHKCCAX-UHFFFAOYSA-N |
| Molecular Weight |
195.218 g/mol |
| SMILES |
C1(=CC(=C2C(=C1)OCO2)OC)CCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882813 |
