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N-iso-Butoxycarbonyl-3,4-methylenedioxyamphetamine

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

N-iso-Butoxycarbonyl-3,4-methylenedioxyamphetamine
SpectraBase Compound ID EMPmOwCmrX
InChI InChI=1S/C15H21NO4/c1-10(2)8-18-15(17)16-11(3)6-12-4-5-13-14(7-12)20-9-19-13/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,16,17)
InChIKey WHYWXNMVVHRPLT-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C15H21NO4
Exact Mass 279.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 85Wl4oGk1Wp
Name N-iso-Butoxycarbonyl-3,4-methylenedioxyamphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.147058156 u
Formula C15H21NO4
InChI InChI=1S/C15H21NO4/c1-10(2)8-18-15(17)16-11(3)6-12-4-5-13-14(7-12)20-9-19-13/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,16,17)
InChIKey WHYWXNMVVHRPLT-UHFFFAOYSA-N
Molecular Weight 279.336 g/mol
SMILES C1=2C(=CC(CC(NC(OCC(C)C)=O)C)=CC2)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952145