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Pimelic acid, 10-chlorodecyl isobutyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 10-chlorodecyl isobutyl ester
SpectraBase Compound ID IuMFfU3W1ui
InChI InChI=1S/C21H39ClO4/c1-19(2)18-26-21(24)15-11-9-10-14-20(23)25-17-13-8-6-4-3-5-7-12-16-22/h19H,3-18H2,1-2H3
InChIKey ZRGPUEWOSGGWKH-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 ExJ3OzD2XBe
Name Pimelic acid, 10-chlorodecyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H39ClO4
InChI InChI=1S/C21H39ClO4/c1-19(2)18-26-21(24)15-11-9-10-14-20(23)25-17-13-8-6-4-3-5-7-12-16-22/h19H,3-18H2,1-2H3
InChIKey ZRGPUEWOSGGWKH-UHFFFAOYSA-N
Molecular Weight 390.992 g/mol
SMILES C(CCCCCC(OCCCCCCCCCCCl)=O)(OCC(C)C)=O
SPLASH splash10-052g-8900000000-8ce7179a69f0b3ad3196
Source of Spectrum TIPS-2022-801-0
Wiley ID 1822318