| SpectraBase Spectrum ID |
AeuaGTLRU2h |
| Name |
N-Ethyl-2,3-methylenedioxyamphetamine form |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.120843408 u |
| Formula |
C13H17NO3 |
| InChI |
InChI=1S/C13H17NO3/c1-3-14(8-15)10(2)7-11-5-4-6-12-13(11)17-9-16-12/h4-6,8,10H,3,7,9H2,1-2H3 |
| InChIKey |
RDOZQNJXMLNVGN-UHFFFAOYSA-N |
| Molecular Weight |
235.283 g/mol |
| SMILES |
C=1(C2=C(OCO2)C=CC1)CC(N(C=O)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905069 |
