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N-Benzyl-3,4-methylenedioxycathinone hex

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-Benzyl-3,4-methylenedioxycathinone hex
SpectraBase Compound ID 5EiJUkzgi5Y
InChI InChI=1S/C23H27NO4/c1-3-4-6-11-22(25)24(15-18-9-7-5-8-10-18)17(2)23(26)19-12-13-20-21(14-19)28-16-27-20/h5,7-10,12-14,17H,3-4,6,11,15-16H2,1-2H3
InChIKey XFYPUAHHLMUHNA-UHFFFAOYSA-N
Mol Weight 381.47 g/mol
Molecular Formula C23H27NO4
Exact Mass 381.194008 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8GWtXObIXVK
Name N-Benzyl-3,4-methylenedioxycathinone hex
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.194008349 u
Formula C23H27NO4
InChI InChI=1S/C23H27NO4/c1-3-4-6-11-22(25)24(15-18-9-7-5-8-10-18)17(2)23(26)19-12-13-20-21(14-19)28-16-27-20/h5,7-10,12-14,17H,3-4,6,11,15-16H2,1-2H3
InChIKey XFYPUAHHLMUHNA-UHFFFAOYSA-N
Molecular Weight 381.472 g/mol
SMILES C(N(C(CCCCC)=O)CC1=CC=CC=C1)(C(C=1C=C2C(=CC1)OCO2)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927427