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2H-Pyran-2-butanoic acid, 6-heptadecyltetrahydro-, methyl ester
SpectraBase Compound ID KOWr4xBwzX0
InChI InChI=1S/C27H52O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-21-18-22-26(30-25)23-19-24-27(28)29-2/h25-26H,3-24H2,1-2H3
InChIKey JDXJKXNXHLOATN-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C27H52O3
Exact Mass 424.391646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzpjOSfpJVc
Name 2H-Pyran-2-butanoic acid, 6-heptadecyltetrahydro-, methyl ester
CAS Registry Number 55955-48-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H52O3
InChI InChI=1S/C27H52O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-21-18-22-26(30-25)23-19-24-27(28)29-2/h25-26H,3-24H2,1-2H3
InChIKey JDXJKXNXHLOATN-UHFFFAOYSA-N
Molecular Weight 424.710 g/mol
SMILES C(CC1OC(CCCCCCCCCCCCCCCCC)CCC1)CC(OC)=O
SPLASH splash10-052f-9600000000-5aa04d4da04aff5e6e1e
Source of Spectrum S-18-91-6
Synonyms Methyl 4-(6-heptadecyltetrahydro-2H-pyran-2-yl)butanoate 4-(6-heptadecyl-2-oxanyl)butanoic acid methyl ester 4-(6-heptadecyltetrahydropyran-2-yl)butyric acid methyl ester Methyl 4-(6-heptadecyloxan-2-yl)butanoate Methyl 4-(6-heptadecyltetrahydropyran-2-yl)butanoate
Wiley ID 1379438