| SpectraBase Spectrum ID |
6fXn8QqjgLy |
| Name |
(2S)-2-Amino-1-(3,4-dimethoxyphenyl)-2-(3,4-methylenedioxyphenyl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.110672646 u |
| Formula |
C17H17NO5 |
| InChI |
InChI=1S/C17H17NO5/c1-20-12-5-4-11(8-14(12)21-2)17(19)16(18)10-3-6-13-15(7-10)23-9-22-13/h3-8,16H,9,18H2,1-2H3/t16-/m0/s1 |
| InChIKey |
XAVRTWJSRAXMQT-INIZCTEOSA-N |
| Molecular Weight |
315.325 g/mol |
| SMILES |
C(C=1C=C(OC)C(=CC1)OC)([C@](C=1C=C2OCOC2=CC1)(N)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872784 |
