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N,N-Bis-phenethyl-1-(3,4-methylenedioxyphenyl)butan-2-amine
SpectraBase Compound ID 7YDtWUhfQ6l
InChI InChI=1S/C27H31NO2/c1-2-25(19-24-13-14-26-27(20-24)30-21-29-26)28(17-15-22-9-5-3-6-10-22)18-16-23-11-7-4-8-12-23/h3-14,20,25H,2,15-19,21H2,1H3
InChIKey ZDKTXGVBOWETPH-UHFFFAOYSA-N
Mol Weight 401.55 g/mol
Molecular Formula C27H31NO2
Exact Mass 401.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pQ47cwo1ey
Name N,N-Bis-phenethyl-1-(3,4-methylenedioxyphenyl)butan-2-amine
Classification Methylenedioxyphenylbutanamine designer drug
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 401.235479240 u
Formula C27H31NO2
InChI InChI=1S/C27H31NO2/c1-2-25(19-24-13-14-26-27(20-24)30-21-29-26)28(17-15-22-9-5-3-6-10-22)18-16-23-11-7-4-8-12-23/h3-14,20,25H,2,15-19,21H2,1H3
InChIKey ZDKTXGVBOWETPH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 401.550 g/mol
Nominal Mass 401 u
Quality 997
Retention Index 3063
SMILES C1=2C(=CC=C(C2)CC(N(CCC2=CC=CC=C2)CCC=2C=CC=CC2)CC)OCO1
SPLASH splash10-014i-4690000000-77aadef8520f9e67f6f7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Butan-2-amine,N,N-Bis-phenethyl-1-(3,4-methylenedioxyphenyl) 1-(1,3-benzodioxol-5-yl)-N,N-bis(2-phenylethyl)butan-2-amine
Technique GC/MS
Wiley ID DD2024_005933