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PHYTANOIC ACID, PHYTANYL ESTER
SpectraBase Compound ID 3b2IODzL3te
InChI InChI=1S/C40H80O2/c1-32(2)17-11-19-34(5)21-13-23-36(7)25-15-27-38(9)29-30-42-40(41)31-39(10)28-16-26-37(8)24-14-22-35(6)20-12-18-33(3)4/h32-39H,11-31H2,1-10H3
InChIKey VZUJIOWLDKHGPV-UHFFFAOYSA-N
Mol Weight 593.1 g/mol
Molecular Formula C40H80O2
Exact Mass 592.615832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29ssRpFJc1e
Name PHYTANOIC ACID, PHYTANYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H80O2
InChI InChI=1S/C40H80O2/c1-32(2)17-11-19-34(5)21-13-23-36(7)25-15-27-38(9)29-30-42-40(41)31-39(10)28-16-26-37(8)24-14-22-35(6)20-12-18-33(3)4/h32-39H,11-31H2,1-10H3
InChIKey VZUJIOWLDKHGPV-UHFFFAOYSA-N
Instrument Name VG70
Molecular Weight 592.61
SMILES C(CCC(CCCC(CCCC(CC(OCCC(CCCC(CCCC(CCCC(C)C)C)C)C)=O)C)C)C)C(C)C
SPLASH splash10-0ab9-9300000000-96e5eee3c5f7a88f3207
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany