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2-(benzyloxycarbonylamino)-3,3-difluoro-hex-5-enoic acid ethyl ester
SpectraBase Compound ID BanAFifmSwS
InChI InChI=1S/C16H19F2NO4/c1-3-10-16(17,18)13(14(20)22-4-2)19-15(21)23-11-12-8-6-5-7-9-12/h3,5-9,13H,1,4,10-11H2,2H3,(H,19,21)
InChIKey BJCOOIPSRIRFHE-UHFFFAOYSA-N
Mol Weight 327.33 g/mol
Molecular Formula C16H19F2NO4
Exact Mass 327.128214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gEUhWUViHQ
Name 2-(benzyloxycarbonylamino)-3,3-difluoro-hex-5-enoic acid ethyl ester
Alternate Name(s) 3,3-Difluoro-2-(phenylmethoxycarbonylamino)-5-hexenoic acid ethyl ester Ethyl 2-(benzyloxycarbonylamino)-3,3-difluoro-hex-5-enoate Ethyl 3,3-bis(fluoranyl)-2-(phenylmethoxycarbonylamino)hex-5-enoate Ethyl 3,3-difluoro-2-(phenylmethoxycarbonylamino)hex-5-enoate
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Formula C16H19F2NO4
InChI InChI=1S/C16H19F2NO4/c1-3-10-16(17,18)13(14(20)22-4-2)19-15(21)23-11-12-8-6-5-7-9-12/h3,5-9,13H,1,4,10-11H2,2H3,(H,19,21)
InChIKey BJCOOIPSRIRFHE-UHFFFAOYSA-N
Molecular Weight 327.328 g/mol
SMILES N(C(C(F)(F)CC=C)C(=O)OCC)C(=O)OCc1ccccc1
SPLASH splash10-0006-9210000000-32a1a5453884d86c777e
Source of Spectrum J-60-6294-15
Wiley ID 1325428