For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-iso-Butyl-methylenedioxyamphetamine ac

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

N-iso-Butyl-methylenedioxyamphetamine ac
SpectraBase Compound ID LVvVZDLNzmJ
InChI InChI=1S/C16H23NO3/c1-11(2)9-17(13(4)18)12(3)7-14-5-6-15-16(8-14)20-10-19-15/h5-6,8,11-12H,7,9-10H2,1-4H3
InChIKey ILWDDMPQQCBTAP-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C16H23NO3
Exact Mass 277.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BCG5SRVVy7D
Name N-iso-Butyl-methylenedioxyamphetamine ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.167793602 u
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-11(2)9-17(13(4)18)12(3)7-14-5-6-15-16(8-14)20-10-19-15/h5-6,8,11-12H,7,9-10H2,1-4H3
InChIKey ILWDDMPQQCBTAP-UHFFFAOYSA-N
SMILES C1=2C(=CC(CC(N(C(=O)C)CC(C)C)C)=CC2)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842674