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Pimelic acid, 10-chlorodecyl butyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 10-chlorodecyl butyl ester
SpectraBase Compound ID EetQqnSRZnn
InChI InChI=1S/C21H39ClO4/c1-2-3-18-25-20(23)15-11-10-12-16-21(24)26-19-14-9-7-5-4-6-8-13-17-22/h2-19H2,1H3
InChIKey KQPCHHAJTAXZNM-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 9w1vOQXaOJF
Name Pimelic acid, 10-chlorodecyl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H39ClO4
InChI InChI=1S/C21H39ClO4/c1-2-3-18-25-20(23)15-11-10-12-16-21(24)26-19-14-9-7-5-4-6-8-13-17-22/h2-19H2,1H3
InChIKey KQPCHHAJTAXZNM-UHFFFAOYSA-N
Molecular Weight 390.992 g/mol
SMILES C(CCCCCC(OCCCCCCCCCCCl)=O)(OCCCC)=O
SPLASH splash10-054p-8900000000-ae7488a8086c8fdb404c
Source of Spectrum TIPS-2022-802-0
Wiley ID 1822319