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Pimelic acid, 8-chlorooctyl decyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 8-chlorooctyl decyl ester
SpectraBase Compound ID FbZdHDNlSu1
InChI InChI=1S/C25H47ClO4/c1-2-3-4-5-6-8-11-17-22-29-24(27)19-14-13-15-20-25(28)30-23-18-12-9-7-10-16-21-26/h2-23H2,1H3
InChIKey SXVTWFLLZWYYCP-UHFFFAOYSA-N
Mol Weight 447.1 g/mol
Molecular Formula C25H47ClO4
Exact Mass 446.316288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VuTClea1lz
Name Pimelic acid, 8-chlorooctyl decyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H47ClO4
InChI InChI=1S/C25H47ClO4/c1-2-3-4-5-6-8-11-17-22-29-24(27)19-14-13-15-20-25(28)30-23-18-12-9-7-10-16-21-26/h2-23H2,1H3
InChIKey SXVTWFLLZWYYCP-UHFFFAOYSA-N
Molecular Weight 447.100 g/mol
SMILES C(CCCCCC(OCCCCCCCCCl)=O)(OCCCCCCCCCC)=O
SPLASH splash10-0006-9710000000-2f09deb9f72c1e749bab
Source of Spectrum TIPS-2022-846-0
Wiley ID 1822363