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Pimelic acid, 8-chlorooctyl isobutyl ester
SpectraBase Compound ID 3FyE0pmHQhu
InChI InChI=1S/C19H35ClO4/c1-17(2)16-24-19(22)13-9-7-8-12-18(21)23-15-11-6-4-3-5-10-14-20/h17H,3-16H2,1-2H3
InChIKey QAHPHHQLOTWGNQ-UHFFFAOYSA-N
Mol Weight 362.9 g/mol
Molecular Formula C19H35ClO4
Exact Mass 362.222387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fw6jArtBEL
Name Pimelic acid, 8-chlorooctyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H35ClO4
InChI InChI=1S/C19H35ClO4/c1-17(2)16-24-19(22)13-9-7-8-12-18(21)23-15-11-6-4-3-5-10-14-20/h17H,3-16H2,1-2H3
InChIKey QAHPHHQLOTWGNQ-UHFFFAOYSA-N
Molecular Weight 362.938 g/mol
SMILES C(CCCCCC(OCCCCCCCCCl)=O)(OCC(C)C)=O
SPLASH splash10-052g-8900000000-3788e21cf64806bce033
Source of Spectrum TIPS-2022-839-0
Wiley ID 1822356