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Glutaric acid, tridec-2-yn-1-yl 2-chloro-5-methylphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl 2-chloro-5-methylphenyl ester
SpectraBase Compound ID 5nieRxfsoMy
InChI InChI=1S/C25H35ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-19-29-24(27)15-14-16-25(28)30-23-20-21(2)17-18-22(23)26/h17-18,20H,3-11,14-16,19H2,1-2H3
InChIKey KXZLUDHBGJXXQK-UHFFFAOYSA-N
Mol Weight 435.0 g/mol
Molecular Formula C25H35ClO4
Exact Mass 434.222387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Db7uDGdl3CE
Name Glutaric acid, tridec-2-yn-1-yl 2-chloro-5-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.222387303 u
Formula C25H35ClO4
InChI InChI=1S/C25H35ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-19-29-24(27)15-14-16-25(28)30-23-20-21(2)17-18-22(23)26/h17-18,20H,3-11,14-16,19H2,1-2H3
InChIKey KXZLUDHBGJXXQK-UHFFFAOYSA-N
Molecular Weight 435.004 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OC1=CC(C)=CC=C1Cl)=O