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3-Phenylpropylamine 4-butylbenzoyl
SpectraBase Compound ID D2SRYXlHqIt
InChI InChI=1S/C20H25NO/c1-2-3-8-18-12-14-19(15-13-18)20(22)21-16-7-11-17-9-5-4-6-10-17/h4-6,9-10,12-15H,2-3,7-8,11,16H2,1H3,(H,21,22)
InChIKey PDQNSGXFDVPEOL-UHFFFAOYSA-N
Mol Weight 295.43 g/mol
Molecular Formula C20H25NO
Exact Mass 295.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIcDYoQr116
Name 3-Phenylpropylamine 4-butylbenzoyl
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 295.193614428 u
Formula C20H25NO
InChI InChI=1S/C20H25NO/c1-2-3-8-18-12-14-19(15-13-18)20(22)21-16-7-11-17-9-5-4-6-10-17/h4-6,9-10,12-15H,2-3,7-8,11,16H2,1H3,(H,21,22)
InChIKey PDQNSGXFDVPEOL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 295.426 g/mol
Nominal Mass 295 u
Quality 998
Retention Index 2255
SMILES C=1(C(NCCCC=2C=CC=CC2)=O)C=CC(=CC1)CCCC
SPLASH splash10-0006-3900000000-78786783a19f6fdcbf18
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Butyl-N-(3-phenylpropyl)benzamide
Technique GC/MS
Wiley ID DD2024_023731