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Glutaric acid, 3-chlorophenyl 2-methylhex-3-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-chlorophenyl 2-methylhex-3-yl ester
SpectraBase Compound ID DIfQC7IzoIH
InChI InChI=1S/C18H25ClO4/c1-4-7-16(13(2)3)23-18(21)11-6-10-17(20)22-15-9-5-8-14(19)12-15/h5,8-9,12-13,16H,4,6-7,10-11H2,1-3H3
InChIKey QDPZQWKYQONOQD-UHFFFAOYSA-N
Mol Weight 340.85 g/mol
Molecular Formula C18H25ClO4
Exact Mass 340.144137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GZcJ1Q90wEa
Name Glutaric acid, 3-chlorophenyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.144136981 u
Formula C18H25ClO4
InChI InChI=1S/C18H25ClO4/c1-4-7-16(13(2)3)23-18(21)11-6-10-17(20)22-15-9-5-8-14(19)12-15/h5,8-9,12-13,16H,4,6-7,10-11H2,1-3H3
InChIKey QDPZQWKYQONOQD-UHFFFAOYSA-N
Molecular Weight 340.847 g/mol
SMILES C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC(C(C)C)CCC)=O