| SpectraBase Spectrum ID |
JP5IwoZaRta |
| Name |
N-Tert-butyl-3,4-methylenedioxycathinone hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.113171205 u |
| Formula |
C14H20ClNO3 |
| InChI |
InChI=1S/C14H19NO3.ClH/c1-9(15-14(2,3)4)13(16)10-5-6-11-12(7-10)18-8-17-11;/h5-7,9,15H,8H2,1-4H3;1H |
| InChIKey |
XRPAEYUHPOJWRJ-UHFFFAOYSA-N |
| Molecular Weight |
285.771 g/mol |
| SMILES |
Cl.N(C(C(C1=CC=C2OCOC2=C1)=O)C)C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.95069 |
