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Pimelic acid, 8-chlorooctyl tridecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 8-chlorooctyl tridecyl ester
SpectraBase Compound ID 1NZ5CWiMmri
InChI InChI=1S/C28H53ClO4/c1-2-3-4-5-6-7-8-9-11-14-20-25-32-27(30)22-17-16-18-23-28(31)33-26-21-15-12-10-13-19-24-29/h2-26H2,1H3
InChIKey KCAQKXJBWKMDDG-UHFFFAOYSA-N
Mol Weight 489.2 g/mol
Molecular Formula C28H53ClO4
Exact Mass 488.363238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7tmJDEzi4L
Name Pimelic acid, 8-chlorooctyl tridecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H53ClO4
InChI InChI=1S/C28H53ClO4/c1-2-3-4-5-6-7-8-9-11-14-20-25-32-27(30)22-17-16-18-23-28(31)33-26-21-15-12-10-13-19-24-29/h2-26H2,1H3
InChIKey KCAQKXJBWKMDDG-UHFFFAOYSA-N
Molecular Weight 489.181 g/mol
SMILES C(CCCCCC(OCCCCCCCCCl)=O)(OCCCCCCCCCCCCC)=O
SPLASH splash10-0006-9710000000-a81a509cddd006d212f1
Source of Spectrum TIPS-2022-849-0
Wiley ID 1822366