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Succinic acid, 2-methylpent-3-yl pentachlorophenyl ester

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Succinic acid, 2-methylpent-3-yl pentachlorophenyl ester
SpectraBase Compound ID IYQni8gKzjJ
InChI InChI=1S/C16H17Cl5O4/c1-4-8(7(2)3)24-9(22)5-6-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h7-8H,4-6H2,1-3H3
InChIKey YSEMQQRTRMGPRF-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C16H17Cl5O4
Exact Mass 447.956948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9LHXR8QGldj
Name Succinic acid, 2-methylpent-3-yl pentachlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.956947523 u
Formula C16H17Cl5O4
InChI InChI=1S/C16H17Cl5O4/c1-4-8(7(2)3)24-9(22)5-6-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h7-8H,4-6H2,1-3H3
InChIKey YSEMQQRTRMGPRF-UHFFFAOYSA-N
Molecular Weight 450.573 g/mol
SMILES C(CC(OC(CC)C(C)C)=O)C(OC=1C(=C(C(=C(C1Cl)Cl)Cl)Cl)Cl)=O