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N,N-Dibutyl-beta-methylphenethylamine
SpectraBase Compound ID 5ETvhGiWDV6
InChI InChI=1S/C17H29N/c1-4-6-13-18(14-7-5-2)15-16(3)17-11-9-8-10-12-17/h8-12,16H,4-7,13-15H2,1-3H3
InChIKey CEOVFUIKEYJRSQ-UHFFFAOYSA-N
Mol Weight 247.43 g/mol
Molecular Formula C17H29N
Exact Mass 247.23 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHVGkQeTmMK
Name N,N-Dibutyl-beta-methylphenethylamine
Classification beta-isomeric amphetamine
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 247.229999938 u
Formula C17H29N
InChI InChI=1S/C17H29N/c1-4-6-13-18(14-7-5-2)15-16(3)17-11-9-8-10-12-17/h8-12,16H,4-7,13-15H2,1-3H3
InChIKey CEOVFUIKEYJRSQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 247.426 g/mol
Nominal Mass 247 u
Quality 995
Retention Index 1635
SMILES C(C1=CC=CC=C1)(CN(CCCC)CCCC)C
SPLASH splash10-0006-4900000000-8afb722d73909481fca9
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Phenethylamine,N,N-dibutyl-beta-methyl N-butyl-N-(2-phenylpropyl)butan-1-amine
Technique GC/MS
Wiley ID DD2024_008581