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2-[(10E)-2'-Oxononadec-10'-enyl)benzoic acid
SpectraBase Compound ID 59VogmFyRSE
InChI InChI=1S/C26H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(27)22-23-19-17-18-21-25(23)26(28)29/h9-10,17-19,21H,2-8,11-16,20,22H2,1H3,(H,28,29)/b10-9+
InChIKey JAHJHOSSFDFLIO-MDZDMXLPSA-N
Mol Weight 400.6 g/mol
Molecular Formula C26H40O3
Exact Mass 400.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZUaz933YK8
Name 2-[(10E)-2'-Oxononadec-10'-enyl)benzoic acid
Alternate Name(s) (E)-2-(2-oxononadec-10-en-1-yl)benzoic acid 2-[(E)-2-oxononadec-10-enyl]benzoic acid 2-[(E)-2-oxidanylidenenonadec-10-enyl]benzoic acid
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Formula C26H40O3
InChI InChI=1S/C26H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(27)22-23-19-17-18-21-25(23)26(28)29/h9-10,17-19,21H,2-8,11-16,20,22H2,1H3,(H,28,29)/b10-9+
InChIKey JAHJHOSSFDFLIO-MDZDMXLPSA-N
Molecular Weight 400.603 g/mol
SMILES OC(c1ccccc1CC(CCCCCCC\C=C\CCCCCCCC)=O)=O
SPLASH splash10-0a4i-9100000000-4fef25092b32ca505c63
Source of Spectrum Y1-46B-1325-4b
Wiley ID 1744511