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Dotriaconta-11,13,15,17,19,21-hexaene-dioic acid

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Dotriaconta-11,13,15,17,19,21-hexaene-dioic acid
SpectraBase Compound ID 9hWZDRAKmMw
InChI InChI=1S/C32H50O4/c33-31(34)29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32(35)36/h1-12H,13-30H2,(H,33,34)(H,35,36)/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+
InChIKey WQJAGPUIZHYTJE-CZBFJCMTSA-N
Mol Weight 498.7 g/mol
Molecular Formula C32H50O4
Exact Mass 498.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 459XYVoI8VV
Name Dotriaconta-11,13,15,17,19,21-hexaene-dioic acid
Comments Computed using HOSE algorithm
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Exact Mass 498.370910086 u
Formula C32H50O4
InChI InChI=1S/C32H50O4/c33-31(34)29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32(35)36/h1-12H,13-30H2,(H,33,34)(H,35,36)/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+
InChIKey WQJAGPUIZHYTJE-CZBFJCMTSA-N
Molecular Weight 498.748 g/mol
SMILES C(=O)(O)CCCCCCCCC\C=C\C=C\C=C\C=C\C=C\C=C\CCCCCCCCCC(=O)O