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3-Phenylpropylamine 4-propylbenzoyl
SpectraBase Compound ID 1wrgjxr1m4P
InChI InChI=1S/C19H23NO/c1-2-7-16-11-13-18(14-12-16)19(21)20-15-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3,(H,20,21)
InChIKey ONQJXDUFWHWRES-UHFFFAOYSA-N
Mol Weight 281.4 g/mol
Molecular Formula C19H23NO
Exact Mass 281.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Y4CXRSsY2C
Name 3-Phenylpropylamine 4-propylbenzoyl
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 281.177964364 u
Formula C19H23NO
InChI InChI=1S/C19H23NO/c1-2-7-16-11-13-18(14-12-16)19(21)20-15-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3,(H,20,21)
InChIKey ONQJXDUFWHWRES-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 281.399 g/mol
Nominal Mass 281 u
Quality 999
Retention Index 2618
SMILES C=1(C(NCCCC=2C=CC=CC2)=O)C=CC(=CC1)CCC
SPLASH splash10-004j-2910000000-93b39021bbf371ff7d60
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(3-Phenylpropyl)-4-propylbenzamide
Technique GC/MS
Wiley ID DD2024_023372