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Methyl (Z)-9,12,13-trimethoxyoctadec-15-enoate

View entire compound with spectra: 1 NMR

Methyl (Z)-9,12,13-trimethoxyoctadec-15-enoate
SpectraBase Compound ID As8iOKAZZhq
InChI InChI=1S/C22H42O5/c1-6-7-11-15-20(25-3)21(26-4)18-17-19(24-2)14-12-9-8-10-13-16-22(23)27-5/h7,11,19-21H,6,8-10,12-18H2,1-5H3/b11-7-
InChIKey DOHCBXLLUBXLSZ-XFFZJAGNSA-N
Mol Weight 386.6 g/mol
Molecular Formula C22H42O5
Exact Mass 386.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3CiZOWeWj6
Name Methyl (Z)-9,12,13-trimethoxyoctadec-15-enoate
Comments Computed using HOSE algorithm
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Exact Mass 386.303224447 u
Formula C22H42O5
InChI InChI=1S/C22H42O5/c1-6-7-11-15-20(25-3)21(26-4)18-17-19(24-2)14-12-9-8-10-13-16-22(23)27-5/h7,11,19-21H,6,8-10,12-18H2,1-5H3/b11-7-
InChIKey DOHCBXLLUBXLSZ-XFFZJAGNSA-N
Molecular Weight 386.573 g/mol
SMILES C(\C=C/CC(C(CCC(CCCCCCCC(=O)OC)OC)OC)OC)C