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Diethyl 2-bromo-11-methyl-1,11-dodecadiene-6-yne-4,4-dicarbocxylate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Diethyl 2-bromo-11-methyl-1,11-dodecadiene-6-yne-4,4-dicarbocxylate
SpectraBase Compound ID 5R8M6gaHU1Y
InChI InChI=1S/C19H27BrO4/c1-6-23-17(21)19(14-16(5)20,18(22)24-7-2)13-11-9-8-10-12-15(3)4/h3,5-8,10,12-14H2,1-2,4H3
InChIKey GNOPFTMGEHQTKM-UHFFFAOYSA-N
Mol Weight 399.33 g/mol
Molecular Formula C19H27BrO4
Exact Mass 398.109272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKuOly0OUZP
Name Diethyl 2-bromo-11-methyl-1,11-dodecadiene-6-yne-4,4-dicarbocxylate
Comments Computed using HOSE algorithm
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Exact Mass 398.109272345 u
Formula C19H27BrO4
InChI InChI=1S/C19H27BrO4/c1-6-23-17(21)19(14-16(5)20,18(22)24-7-2)13-11-9-8-10-12-15(3)4/h3,5-8,10,12-14H2,1-2,4H3
InChIKey GNOPFTMGEHQTKM-UHFFFAOYSA-N
Molecular Weight 399.325 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)CC#CCCCC(=C)C