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2-Furannonanoic acid, 5-(21,23-dimethylpentacosyl)tetrahydro-, methyl ester
SpectraBase Compound ID 6wzzsAkPsIN
InChI InChI=1S/C41H80O3/c1-5-37(2)36-38(3)30-26-22-18-16-14-12-10-8-6-7-9-11-13-15-17-19-23-27-31-39-34-35-40(44-39)32-28-24-20-21-25-29-33-41(42)43-4/h37-40H,5-36H2,1-4H3
InChIKey AKFPSBSFRASTJY-UHFFFAOYSA-N
Mol Weight 621.1 g/mol
Molecular Formula C41H80O3
Exact Mass 620.610746 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62BkAAn8edn
Name 2-Furannonanoic acid, 5-(21,23-dimethylpentacosyl)tetrahydro-, methyl ester
CAS Registry Number 18082-13-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H80O3
InChI InChI=1S/C41H80O3/c1-5-37(2)36-38(3)30-26-22-18-16-14-12-10-8-6-7-9-11-13-15-17-19-23-27-31-39-34-35-40(44-39)32-28-24-20-21-25-29-33-41(42)43-4/h37-40H,5-36H2,1-4H3
InChIKey AKFPSBSFRASTJY-UHFFFAOYSA-N
Molecular Weight 621.088 g/mol
SMILES C(CC1OC(CCCCCCCCCCCCCCCCCCCCC(CC(CC)C)C)CC1)CCCCCCC(OC)=O
SPLASH splash10-052f-9330100000-dc28dfb68bdbeed9a8c1
Source of Spectrum SD-1981-0-0
Synonyms Methyl 9-[5-(21,23-dimethylpentacosyl)tetrahydro-2-furanyl]nonanoate 9-[5-(21,23-dimethylpentacosyl)-2-oxolanyl]nonanoic acid methyl ester 9-[5-(21,23-dimethylpentacosyl)tetrahydrofuran-2-yl]pelargonic acid methyl ester Methyl 9-[5-(21,23-dimethylpentacosyl)oxolan-2-yl]nonanoate Methyl 9-[5-(21,23-dimethylpentacosyl)tetrahydrofuran-2-yl]nonanoate
Wiley ID 1411577