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3,4-Methylenedioxy-N-benzylcathinone
SpectraBase Compound ID BCXxLEu8bqg
InChI InChI=1S/C17H17NO3/c1-12(18-10-13-5-3-2-4-6-13)17(19)14-7-8-15-16(9-14)21-11-20-15/h2-9,12,18H,10-11H2,1H3
InChIKey KRNIYOJEASBDDP-UHFFFAOYSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dlw8xqvmNYO
Name N-Benzyl-3,4-methylenedioxycathinone
CAS Registry Number 1823274-68-5
Classification Cathinone analog designer drug
Comments Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 283.120843408 u
Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c1-12(18-10-13-5-3-2-4-6-13)17(19)14-7-8-15-16(9-14)21-11-20-15/h2-9,12,18H,10-11H2,1H3
InChIKey KRNIYOJEASBDDP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 283.327 g/mol
Nominal Mass 283 u
Quality 995
Retention Index 2321
SMILES C=1(C(C(NCC=2C=CC=CC2)C)=O)C=C2C(=CC1)OCO2
SPLASH splash10-000x-9700000000-44d24b65084545d649bb
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms A5 BMDP Benzylone 3,4-Methylenedioxy-N-benzylcathinone 1-(1,3-benzodioxol-5-yl)-2-(benzylamino)propan-1-one
Technique GC/MS
Wiley ID DD2024_026387