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7-[(E)-Hex-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester
SpectraBase Compound ID A6Kk1Gw7i6p
InChI InChI=1S/C20H27NO2/c1-2-3-4-9-14-19-15-10-6-11-16-21(19)20(22)23-17-18-12-7-5-8-13-18/h5,7-9,12-15H,2-4,6,10-11,16-17H2,1H3/b14-9+
InChIKey ACMQWKYAJCHMPA-NTEUORMPSA-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 6nvE0Cc3Uu1
Name 7-[(E)-Hex-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester
Alternate Name(s) (phenylmethyl) 7-[(E)-hex-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylate 7-[(E)-hex-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester benzyl 7-[(E)-hex-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylate
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Formula C20H27NO2
InChI InChI=1S/C20H27NO2/c1-2-3-4-9-14-19-15-10-6-11-16-21(19)20(22)23-17-18-12-7-5-8-13-18/h5,7-9,12-15H,2-4,6,10-11,16-17H2,1H3/b14-9+
InChIKey ACMQWKYAJCHMPA-NTEUORMPSA-N
Molecular Weight 313.441 g/mol
SMILES C1N(C(=CCCC1)\C=C\CCCC)C(=O)OCc1ccccc1
SPLASH splash10-0006-9000000000-d63b925c5dc407b4ef7e
Source of Spectrum J-66-2465-34
Wiley ID 1534965