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Anacardic acid diene, 2me derivative (isomer 1)
SpectraBase Compound ID Ab0Phbl9GHe
InChI InChI=1S/C24H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(26-2)23(21)24(25)27-3/h6-7,9-10,17,19-20H,4-5,8,11-16,18H2,1-3H3/b7-6-,10-9-
InChIKey XVOXBYBDLFFCOK-HZJYTTRNSA-N
Mol Weight 372.5 g/mol
Molecular Formula C24H36O3
Exact Mass 372.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9JlTpO9QdHj
Name Anacardic acid diene, 2me derivative (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 372.266445016 u
Formula C24H36O3
InChI InChI=1S/C24H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(26-2)23(21)24(25)27-3/h6-7,9-10,17,19-20H,4-5,8,11-16,18H2,1-3H3/b7-6-,10-9-
InChIKey XVOXBYBDLFFCOK-HZJYTTRNSA-N
Molecular Weight 372.549 g/mol
SMILES C(\C=C/CCCCCCCC1=C(C(=CC=C1)OC)C(OC)=O)\C=C/CCC