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N-(3-Methylbenzoyl)-1-(3,4-methylenedioxyphenyl)butan-2-amine

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

N-(3-Methylbenzoyl)-1-(3,4-methylenedioxyphenyl)butan-2-amine
SpectraBase Compound ID 2usjMNSe43s
InChI InChI=1S/C19H21NO3/c1-3-16(20-19(21)15-6-4-5-13(2)9-15)10-14-7-8-17-18(11-14)23-12-22-17/h4-9,11,16H,3,10,12H2,1-2H3,(H,20,21)
InChIKey UOBHZBFXCCJCMC-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqpS5kiFRJF
Name N-(3-Methylbenzoyl)-1-(3,4-methylenedioxyphenyl)butan-2-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.152143537 u
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-3-16(20-19(21)15-6-4-5-13(2)9-15)10-14-7-8-17-18(11-14)23-12-22-17/h4-9,11,16H,3,10,12H2,1-2H3,(H,20,21)
InChIKey UOBHZBFXCCJCMC-UHFFFAOYSA-N
Molecular Weight 311.381 g/mol
SMILES C(NC(CC=1C=C2C(=CC1)OCO2)CC)(C=1C=C(C=CC1)C)=O