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2,5-Dimethylphenethylamine 4-butylbenzoyl
SpectraBase Compound ID FLoOaMLPgj2
InChI InChI=1S/C21H27NO/c1-4-5-6-18-9-11-19(12-10-18)21(23)22-14-13-20-15-16(2)7-8-17(20)3/h7-12,15H,4-6,13-14H2,1-3H3,(H,22,23)
InChIKey SOIQEPAKAZINBT-UHFFFAOYSA-N
Mol Weight 309.45 g/mol
Molecular Formula C21H27NO
Exact Mass 309.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hFUzyneS
Name 2,5-Dimethylphenethylamine 4-butylbenzoyl
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 309.209264492 u
Formula C21H27NO
InChI InChI=1S/C21H27NO/c1-4-5-6-18-9-11-19(12-10-18)21(23)22-14-13-20-15-16(2)7-8-17(20)3/h7-12,15H,4-6,13-14H2,1-3H3,(H,22,23)
InChIKey SOIQEPAKAZINBT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 309.453 g/mol
Nominal Mass 309 u
Quality 993
Retention Index 2355
SMILES C=1(C(NCCC=2C(=CC=C(C2)C)C)=O)C=CC(=CC1)CCCC
SPLASH splash10-01q9-2900000000-fb73768d4dd1677bb431
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Butyl-N-[2-(2,5-dimethylphenyl)ethyl]benzamide
Technique GC/MS
Wiley ID DD2024_023742