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N-Ethyl-N-(3-methylbenzoyl)-3,4-methylenedioxyamphetamine

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

N-Ethyl-N-(3-methylbenzoyl)-3,4-methylenedioxyamphetamine
SpectraBase Compound ID 973AwFnOPLG
InChI InChI=1S/C20H23NO3/c1-4-21(20(22)17-7-5-6-14(2)10-17)15(3)11-16-8-9-18-19(12-16)24-13-23-18/h5-10,12,15H,4,11,13H2,1-3H3
InChIKey MNQWRNLPRHVEMK-UHFFFAOYSA-N
Mol Weight 325.41 g/mol
Molecular Formula C20H23NO3
Exact Mass 325.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EM0BEWyamsF
Name N-Ethyl-N-(3-methylbenzoyl)-3,4-methylenedioxyamphetamine
Comments Computed using HOSE algorithm
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Exact Mass 325.167793602 u
Formula C20H23NO3
InChI InChI=1S/C20H23NO3/c1-4-21(20(22)17-7-5-6-14(2)10-17)15(3)11-16-8-9-18-19(12-16)24-13-23-18/h5-10,12,15H,4,11,13H2,1-3H3
InChIKey MNQWRNLPRHVEMK-UHFFFAOYSA-N
Molecular Weight 325.408 g/mol
SMILES C(N(C(CC=1C=C2C(=CC1)OCO2)C)CC)(C=1C=C(C=CC1)C)=O