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2-(2'-Oxononadecyl)benzoic acid

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2-(2'-Oxononadecyl)benzoic acid
SpectraBase Compound ID B9rbT1UdOpP
InChI InChI=1S/C26H42O3/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/h17-19,21H,2-16,20,22H2,1H3,(H,28,29)
InChIKey LCQQTVOPQYVIAZ-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C26H42O3
Exact Mass 402.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1t7xcgVT7zE
Name 2-(2'-Oxononadecyl)benzoic acid
Alternate Name(s) 2-(2-oxononadecyl)benzoic acid 2-(2-oxidanylidenenonadecyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O3
InChI InChI=1S/C26H42O3/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/h17-19,21H,2-16,20,22H2,1H3,(H,28,29)
InChIKey LCQQTVOPQYVIAZ-UHFFFAOYSA-N
Molecular Weight 402.619 g/mol
SMILES OC(c1ccccc1CC(CCCCCCCCCCCCCCCCC)=O)=O
SPLASH splash10-014i-0900000000-d1f970866054fda5a84e
Source of Spectrum Y1-46B-1325-4a
Wiley ID 1744510