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Pimelic acid, 2,4-dimethylpent-3-yl heptadecyl ester
SpectraBase Compound ID IpOUZ10TosC
InChI InChI=1S/C31H60O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-34-29(32)24-21-20-22-25-30(33)35-31(27(2)3)28(4)5/h27-28,31H,6-26H2,1-5H3
InChIKey RAFQMTLBRMODIW-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C31H60O4
Exact Mass 496.44916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ksDoqEABbb
Name Pimelic acid, 2,4-dimethylpent-3-yl heptadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H60O4
InChI InChI=1S/C31H60O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-34-29(32)24-21-20-22-25-30(33)35-31(27(2)3)28(4)5/h27-28,31H,6-26H2,1-5H3
InChIKey RAFQMTLBRMODIW-UHFFFAOYSA-N
Molecular Weight 496.817 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9800000000-1b563aeb8ab3ad21428f
Source of Spectrum TIPS-2022-866-0
Wiley ID 1822383