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Glutaric acid, hept-2-yl pentachlorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hept-2-yl pentachlorophenyl ester
SpectraBase Compound ID G39akIwih5N
InChI InChI=1S/C18H21Cl5O4/c1-3-4-5-7-10(2)26-11(24)8-6-9-12(25)27-18-16(22)14(20)13(19)15(21)17(18)23/h10H,3-9H2,1-2H3
InChIKey CQYZGEIFOQYBFL-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C18H21Cl5O4
Exact Mass 475.988248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1y9vHzqcpmI
Name Glutaric acid, hept-2-yl pentachlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.988247652 u
Formula C18H21Cl5O4
InChI InChI=1S/C18H21Cl5O4/c1-3-4-5-7-10(2)26-11(24)8-6-9-12(25)27-18-16(22)14(20)13(19)15(21)17(18)23/h10H,3-9H2,1-2H3
InChIKey CQYZGEIFOQYBFL-UHFFFAOYSA-N
Molecular Weight 478.627 g/mol
SMILES C(CCC(OC(C)CCCCC)=O)C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O