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(2'Z,5'Z)-2-(2',5'-octadienyl)-decane-1,10-dioic acid (dimethyl ester)
SpectraBase Compound ID 9SMezzDCd3b
InChI InChI=1S/C20H34O4/c1-4-5-6-7-9-12-15-18(20(22)24-3)16-13-10-8-11-14-17-19(21)23-2/h5-6,9,12,18H,4,7-8,10-11,13-17H2,1-3H3/b6-5-,12-9-
InChIKey BHNSKPZTWRFAOU-ZGCJARKRSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dg97TBn5ffU
Name (2'Z,5'Z)-2-(2',5'-Octadienyl)-decane-1,10-dioic acid (dimethyl ester)
Comments Computed using HOSE algorithm
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Exact Mass 338.245709571 u
Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-4-5-6-7-9-12-15-18(20(22)24-3)16-13-10-8-11-14-17-19(21)23-2/h5-6,9,12,18H,4,7-8,10-11,13-17H2,1-3H3/b6-5-,12-9-
InChIKey BHNSKPZTWRFAOU-ZGCJARKRSA-N
Molecular Weight 338.488 g/mol
SMILES C(\C=C/C\C=C/CC)C(CCCCCCCC(OC)=O)C(OC)=O