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3-Phenylheptanoic acid, benzylammonium salt

View entire compound with spectra: 1 MS (GC)

3-Phenylheptanoic acid, benzylammonium salt
SpectraBase Compound ID IgQEJgtwHxX
InChI InChI=1S/C13H18O2.C7H9N/c1-2-3-7-12(10-13(14)15)11-8-5-4-6-9-11;8-6-7-4-2-1-3-5-7/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,14,15);1-5H,6,8H2
InChIKey HFYMCQXLICAUBW-UHFFFAOYSA-N
Mol Weight 313.44 g/mol
Molecular Formula C20H27NO2
Exact Mass 313.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G458btie28F
Name 3-Phenylheptanoic acid, benzylammonium salt
Alternate Name(s) 3-Phenyl-heptanoatebenzyl-ammonium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO2
InChI InChI=1S/C13H18O2.C7H9N/c1-2-3-7-12(10-13(14)15)11-8-5-4-6-9-11;8-6-7-4-2-1-3-5-7/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,14,15);1-5H,6,8H2
InChIKey HFYMCQXLICAUBW-UHFFFAOYSA-N
Molecular Weight 313.441 g/mol
SMILES [NH3+]Cc1ccccc1.C(CC(c1ccccc1)CCCC)([O-])=O
SPLASH splash10-0a4j-8900000000-df686516b511ff8da932
Wiley ID 1478708