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Pimelic acid, 2,4-dimethylpent-3-yl pentadecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,4-dimethylpent-3-yl pentadecyl ester
SpectraBase Compound ID Kfo8Jq6c03d
InChI InChI=1S/C29H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-24-32-27(30)22-19-18-20-23-28(31)33-29(25(2)3)26(4)5/h25-26,29H,6-24H2,1-5H3
InChIKey YYUIOFQEOQAPDS-UHFFFAOYSA-N
Mol Weight 468.8 g/mol
Molecular Formula C29H56O4
Exact Mass 468.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZmhG0PDNHQ
Name Pimelic acid, 2,4-dimethylpent-3-yl pentadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H56O4
InChI InChI=1S/C29H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-24-32-27(30)22-19-18-20-23-28(31)33-29(25(2)3)26(4)5/h25-26,29H,6-24H2,1-5H3
InChIKey YYUIOFQEOQAPDS-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OCCCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9800000000-7d0ad5f32c64fa71a57d
Source of Spectrum TIPS-2022-864-0
Wiley ID 1822381