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6-Hydroxy-4-methoxy-2-(2'-oxoheptadecyl)benzoic acid
SpectraBase Compound ID 7IdnagMSKaE
InChI InChI=1S/C25H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(26)17-20-18-22(30-2)19-23(27)24(20)25(28)29/h18-19,27H,3-17H2,1-2H3,(H,28,29)
InChIKey CSPXKPKJAHHQDR-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JoCRarbYKbh
Name 6-Hydroxy-4-methoxy-2-(2'-oxoheptadecyl)benzoic acid
Alternate Name(s) 2-Hydroxy-4-methoxy-6-(2-oxoheptadecyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(26)17-20-18-22(30-2)19-23(27)24(20)25(28)29/h18-19,27H,3-17H2,1-2H3,(H,28,29)
InChIKey CSPXKPKJAHHQDR-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CC(=O)CCCCCCCCCCCCCCC)OC
SPLASH splash10-03fr-0923400000-20ffb28d47897f1df563
Source of Spectrum AH-134-462-5
Wiley ID 1546856