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BMDB
SpectraBase Compound ID u7bAtCnrco
InChI InChI=1S/C18H19NO3/c1-2-15(19-11-13-6-4-3-5-7-13)18(20)14-8-9-16-17(10-14)22-12-21-16/h3-10,15,19H,2,11-12H2,1H3
InChIKey ROBPFIVMZCNMJW-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADysglFBV19
Name 2-Benzylamino-1-(3,4-methylenedioxyphenyl)butan-1-one
Classification Cathinone analog 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 297.136493473 u
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-2-15(19-11-13-6-4-3-5-7-13)18(20)14-8-9-16-17(10-14)22-12-21-16/h3-10,15,19H,2,11-12H2,1H3
InChIKey ROBPFIVMZCNMJW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 297.354 g/mol
Nominal Mass 297 u
Quality 999
Retention Index 2392
SMILES C=1(C(C(NCC=2C=CC=CC2)CC)=O)C=C2C(=CC1)OCO2
SPLASH splash10-0005-9700000000-266f007ca9ff9a1b4375
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms BMDB N-Benzylnorbutylone 1-(1,3-Benzodioxol-5-yl)-2-(benzylamino)butan-1-one
Technique GC/MS
Wiley ID DD2024_016330