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1-Benzyl-5-(3-ketobutyl)azepan-4-one
SpectraBase Compound ID 6l5615brGO1
InChI InChI=1S/C17H23NO2/c1-14(19)7-8-16-9-11-18(12-10-17(16)20)13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3
InChIKey VRHAPKXXRJUFQL-UHFFFAOYSA-N
Mol Weight 273.38 g/mol
Molecular Formula C17H23NO2
Exact Mass 273.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sV2Ulfi4Ua
Name 1-Benzyl-5-(3-ketobutyl)azepan-4-one
Alternate Name(s) 1-Benzyl-5-(3-oxobutyl)azepan-4-one 5-(3-oxidanylidenebutyl)-1-(phenylmethyl)azepan-4-one 5-(3-oxobutyl)-1-(phenylmethyl)-4-azepanone
CAS Registry Number 122844-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO2
InChI InChI=1S/C17H23NO2/c1-14(19)7-8-16-9-11-18(12-10-17(16)20)13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3
InChIKey VRHAPKXXRJUFQL-UHFFFAOYSA-N
Molecular Weight 273.376 g/mol
SMILES C1N(CCC(C(C1)=O)CCC(=O)C)Cc1ccccc1
SPLASH splash10-00kf-9380000000-74847822e745ae7b9d41
Source of Spectrum J-54-4705-9
Wiley ID 1277407