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Pimelic acid, 2-chloro-5-methylphenyl undecyl ester
SpectraBase Compound ID 7VkKjKRrVel
InChI InChI=1S/C25H39ClO4/c1-3-4-5-6-7-8-9-10-14-19-29-24(27)15-12-11-13-16-25(28)30-23-20-21(2)17-18-22(23)26/h17-18,20H,3-16,19H2,1-2H3
InChIKey MRYHGTDRPUMEKQ-UHFFFAOYSA-N
Mol Weight 439.0 g/mol
Molecular Formula C25H39ClO4
Exact Mass 438.253687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgRtdcXd4pQ
Name Pimelic acid, 2-chloro-5-methylphenyl undecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39ClO4
InChI InChI=1S/C25H39ClO4/c1-3-4-5-6-7-8-9-10-14-19-29-24(27)15-12-11-13-16-25(28)30-23-20-21(2)17-18-22(23)26/h17-18,20H,3-16,19H2,1-2H3
InChIKey MRYHGTDRPUMEKQ-UHFFFAOYSA-N
Molecular Weight 439.036 g/mol
SMILES C(CCCCCC(Oc1cc(ccc1Cl)C)=O)(OCCCCCCCCCCC)=O
SPLASH splash10-0006-7910000000-084f7bee4291090723f9
Source of Spectrum TIPS-2022-756-0
Wiley ID 1822273