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Phytanic acid
SpectraBase Compound ID GlvdlbTetp0
InChI InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
InChIKey RLCKHJSFHOZMDR-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PV816vt4q
Name Phytanic acid
CAS Registry Number 18654-64-3
Classification Biomolecule
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Exact Mass 312.302830526 u
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
InChIKey RLCKHJSFHOZMDR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 312.538 g/mol
SMILES C(C(C)C)CCC(C)CCCC(C)CCCC(C)CC(=O)O
SPLASH splash10-0abi-9400000000-c34abfcff8e5f6569f27
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_6063