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2-(2-Bromo-4,5-methylenedioxyphenyl)-N-(3,4-dimethoxyphenethyl)acetamide

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2-(2-Bromo-4,5-methylenedioxyphenyl)-N-(3,4-dimethoxyphenethyl)acetamide
SpectraBase Compound ID IJmhD6zCok9
InChI InChI=1S/C19H20BrNO5/c1-23-15-4-3-12(7-16(15)24-2)5-6-21-19(22)9-13-8-17-18(10-14(13)20)26-11-25-17/h3-4,7-8,10H,5-6,9,11H2,1-2H3,(H,21,22)
InChIKey QPYKGERPVUVXRR-UHFFFAOYSA-N
Mol Weight 422.28 g/mol
Molecular Formula C19H20BrNO5
Exact Mass 421.052486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHpLRvCHRwt
Name 2-(2-Bromo-4,5-methylenedioxyphenyl)-N-(3,4-dimethoxyphenethyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.052485743 u
Formula C19H20BrNO5
InChI InChI=1S/C19H20BrNO5/c1-23-15-4-3-12(7-16(15)24-2)5-6-21-19(22)9-13-8-17-18(10-14(13)20)26-11-25-17/h3-4,7-8,10H,5-6,9,11H2,1-2H3,(H,21,22)
InChIKey QPYKGERPVUVXRR-UHFFFAOYSA-N
Molecular Weight 422.275 g/mol
SMILES C(CC=1C(=CC2=C(C1)OCO2)Br)(=O)NCCC=1C=C(C(=CC1)OC)OC