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Glutaric acid, 3-methylbut-2-en-1-yl pentachlorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-methylbut-2-en-1-yl pentachlorophenyl ester
SpectraBase Compound ID 4pSPmT6vmLQ
InChI InChI=1S/C16H15Cl5O4/c1-8(2)6-7-24-9(22)4-3-5-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h6H,3-5,7H2,1-2H3
InChIKey VPEQEMXEDXPCNI-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C16H15Cl5O4
Exact Mass 445.941297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SFVazOTMsH
Name Glutaric acid, 3-methylbut-2-en-1-yl pentachlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.941297459 u
Formula C16H15Cl5O4
InChI InChI=1S/C16H15Cl5O4/c1-8(2)6-7-24-9(22)4-3-5-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h6H,3-5,7H2,1-2H3
InChIKey VPEQEMXEDXPCNI-UHFFFAOYSA-N
Molecular Weight 448.557 g/mol
SMILES C(CCC(OCC=C(C)C)=O)C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O