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Pimelic acid, 8-chlorooctyl dodecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 8-chlorooctyl dodecyl ester
SpectraBase Compound ID 51yEzQgrjYU
InChI InChI=1S/C27H51ClO4/c1-2-3-4-5-6-7-8-10-13-19-24-31-26(29)21-16-15-17-22-27(30)32-25-20-14-11-9-12-18-23-28/h2-25H2,1H3
InChIKey JCVPFSSYCYWTIV-UHFFFAOYSA-N
Mol Weight 475.2 g/mol
Molecular Formula C27H51ClO4
Exact Mass 474.347588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6X3Q6PYKnPg
Name Pimelic acid, 8-chlorooctyl dodecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H51ClO4
InChI InChI=1S/C27H51ClO4/c1-2-3-4-5-6-7-8-10-13-19-24-31-26(29)21-16-15-17-22-27(30)32-25-20-14-11-9-12-18-23-28/h2-25H2,1H3
InChIKey JCVPFSSYCYWTIV-UHFFFAOYSA-N
Molecular Weight 475.154 g/mol
SMILES C(CCCCCC(OCCCCCCCCCl)=O)(OCCCCCCCCCCCC)=O
SPLASH splash10-0006-9710000000-e1b486722922fa71c1ee
Source of Spectrum TIPS-2022-848-0
Wiley ID 1822365