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N-(2-Butyl)-2,3-methylenedioxyamphetamine

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

N-(2-Butyl)-2,3-methylenedioxyamphetamine
SpectraBase Compound ID 6mwjHZffIVc
InChI InChI=1S/C14H21NO2/c1-4-10(2)15-11(3)8-12-6-5-7-13-14(12)17-9-16-13/h5-7,10-11,15H,4,8-9H2,1-3H3
InChIKey OQYXINOTYNTXRE-UHFFFAOYSA-N
Mol Weight 235.33 g/mol
Molecular Formula C14H21NO2
Exact Mass 235.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2BsP93eTYHN
Name N-(2-Butyl)-2,3-methylenedioxyamphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.157228918 u
Formula C14H21NO2
InChI InChI=1S/C14H21NO2/c1-4-10(2)15-11(3)8-12-6-5-7-13-14(12)17-9-16-13/h5-7,10-11,15H,4,8-9H2,1-3H3
InChIKey OQYXINOTYNTXRE-UHFFFAOYSA-N
Molecular Weight 235.327 g/mol
SMILES C=1(C2=C(OCO2)C=CC1)CC(NC(CC)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821248