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Pimelic acid, 8-chlorooctyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 8-chlorooctyl 4-methylpent-2-yl ester
SpectraBase Compound ID 9k8Aw0ObQhm
InChI InChI=1S/C21H39ClO4/c1-18(2)17-19(3)26-21(24)14-10-8-9-13-20(23)25-16-12-7-5-4-6-11-15-22/h18-19H,4-17H2,1-3H3
InChIKey MKITVXAUISOBPB-UHFFFAOYSA-N
Mol Weight 391.0 g/mol
Molecular Formula C21H39ClO4
Exact Mass 390.253687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J31dU57ZWmS
Name Pimelic acid, 8-chlorooctyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H39ClO4
InChI InChI=1S/C21H39ClO4/c1-18(2)17-19(3)26-21(24)14-10-8-9-13-20(23)25-16-12-7-5-4-6-11-15-22/h18-19H,4-17H2,1-3H3
InChIKey MKITVXAUISOBPB-UHFFFAOYSA-N
Molecular Weight 390.992 g/mol
SMILES C(CCCCCC(OCCCCCCCCCl)=O)(OC(CC(C)C)C)=O
SPLASH splash10-0006-9600000000-47e892d84c1e3d3dfcfb
Source of Spectrum TIPS-2022-841-0
Wiley ID 1822358