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2,3-bis(O-Phytanyl)-glycerol-Benzoate
SpectraBase Compound ID 4aNvd1j5nVc
InChI InChI=1S/C50H92O4/c1-40(2)20-14-22-42(5)24-16-26-44(7)28-18-30-46(9)34-36-52-38-49(39-54-50(51)48-32-12-11-13-33-48)53-37-35-47(10)31-19-29-45(8)27-17-25-43(6)23-15-21-41(3)4/h11-13,32-33,40-47,49H,14-31,34-39H2,1-10H3
InChIKey KDNGZPBSLVPANN-UHFFFAOYSA-N
Mol Weight 757.3 g/mol
Molecular Formula C50H92O4
Exact Mass 756.699561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LM471s4QHOs
Name 2,3-bis(O-Phytanyl)-glycerol-Benzoate
Alternate Name(s) 2,3-bis[(3',7',11',15'-Tetramethylhexadecyl)oxypropyl]-1-benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H92O4
InChI InChI=1S/C50H92O4/c1-40(2)20-14-22-42(5)24-16-26-44(7)28-18-30-46(9)34-36-52-38-49(39-54-50(51)48-32-12-11-13-33-48)53-37-35-47(10)31-19-29-45(8)27-17-25-43(6)23-15-21-41(3)4/h11-13,32-33,40-47,49H,14-31,34-39H2,1-10H3
InChIKey KDNGZPBSLVPANN-UHFFFAOYSA-N
Molecular Weight 757.282 g/mol
SMILES C(OCC(OCCC(CCCC(CCCC(CCCC(C)C)C)C)C)COCCC(CCCC(CCCC(CCCC(C)C)C)C)C)(=O)c1ccccc1
SPLASH splash10-0002-3300900000-85f5119a7ab42faf8f94
Source of Spectrum C-120-5429-fig.3/A
Wiley ID 1699770