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Methyl 12-tetrahydropyranyloxy-2-bromomethyl-2(Z)-dodecenoate

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

Methyl 12-tetrahydropyranyloxy-2-bromomethyl-2(Z)-dodecenoate
SpectraBase Compound ID 93wUvMsPHug
InChI InChI=1S/C19H33BrO4/c1-22-19(21)17(16-20)12-8-6-4-2-3-5-7-10-14-23-18-13-9-11-15-24-18/h12,18H,2-11,13-16H2,1H3/b17-12+
InChIKey KBTIQSALXLAFQE-SFQUDFHCSA-N
Mol Weight 405.4 g/mol
Molecular Formula C19H33BrO4
Exact Mass 404.156223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0mwkw53sc8
Name Methyl 12-tetrahydropyranyloxy-2-bromomethyl-2(Z)-dodecenoate
Comments Computed using HOSE algorithm
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Exact Mass 404.156222539 u
Formula C19H33BrO4
InChI InChI=1S/C19H33BrO4/c1-22-19(21)17(16-20)12-8-6-4-2-3-5-7-10-14-23-18-13-9-11-15-24-18/h12,18H,2-11,13-16H2,1H3/b17-12+
InChIKey KBTIQSALXLAFQE-SFQUDFHCSA-N
Molecular Weight 405.373 g/mol
SMILES C(\C(=C\CCCCCCCCCOC1OCCCC1)CBr)(=O)OC