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Ethyl (2E,5S)-5-[(Benzyloxy)carbonylamino]-2-bromo-6-methylhept-2-enoate
SpectraBase Compound ID GC5dRoaftzx
InChI InChI=1S/C18H24BrNO4/c1-4-23-17(21)15(19)10-11-16(13(2)3)20-18(22)24-12-14-8-6-5-7-9-14/h5-10,13,16H,4,11-12H2,1-3H3,(H,20,22)/b15-10+/t16-/m0/s1
InChIKey HMGJLEYLHUVMHC-KMPOOHAWSA-N
Mol Weight 398.3 g/mol
Molecular Formula C18H24BrNO4
Exact Mass 397.088871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvDuN6wZEn6
Name Ethyl (2E,5S)-5-[(Benzyloxy)carbonylamino]-2-bromo-6-methylhept-2-enoate
Alternate Name(s) Ethyl (2E,5S)-5-{[(benzyloxy)carbonyl]amino}-2-bromo-6-methyl-2-heptenoate
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Formula C18H24BrNO4
InChI InChI=1S/C18H24BrNO4/c1-4-23-17(21)15(19)10-11-16(13(2)3)20-18(22)24-12-14-8-6-5-7-9-14/h5-10,13,16H,4,11-12H2,1-3H3,(H,20,22)/b15-10+/t16-/m0/s1
InChIKey HMGJLEYLHUVMHC-KMPOOHAWSA-N
Molecular Weight 398.297 g/mol
SMILES N([C@@](C\C=C/(C(=O)OCC)Br)(C(C)C)[H])C(=O)OCc1ccccc1
SPLASH splash10-0006-9000000000-1ef20de545bd2e1af02a
Source of Spectrum C5-2004-2150-44
Wiley ID 1617286