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Pimelic acid, 2,2,2-trichloroethyl heptyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,2,2-trichloroethyl heptyl ester
SpectraBase Compound ID 3VgExCU3Mdn
InChI InChI=1S/C16H27Cl3O4/c1-2-3-4-5-9-12-22-14(20)10-7-6-8-11-15(21)23-13-16(17,18)19/h2-13H2,1H3
InChIKey XDOBHMMSKDTWKH-UHFFFAOYSA-N
Mol Weight 389.75 g/mol
Molecular Formula C16H27Cl3O4
Exact Mass 388.097492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bOXTmpyB9z
Name Pimelic acid, 2,2,2-trichloroethyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H27Cl3O4
InChI InChI=1S/C16H27Cl3O4/c1-2-3-4-5-9-12-22-14(20)10-7-6-8-11-15(21)23-13-16(17,18)19/h2-13H2,1H3
InChIKey XDOBHMMSKDTWKH-UHFFFAOYSA-N
Molecular Weight 389.747 g/mol
SMILES C(CCCCCC(OCC(Cl)(Cl)Cl)=O)(OCCCCCCC)=O
SPLASH splash10-0a4m-9410000000-366c8f654f8d11d38ef0
Source of Spectrum TIPS-2022-768-0
Wiley ID 1822285