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Succinic acid, tridec-2-yn-1-yl 3-chlorophenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, tridec-2-yn-1-yl 3-chlorophenyl ester
SpectraBase Compound ID cjEay9hvMc
InChI InChI=1S/C23H31ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-18-27-22(25)16-17-23(26)28-21-15-13-14-20(24)19-21/h13-15,19H,2-10,16-18H2,1H3
InChIKey KAMXRXATTZHJKL-UHFFFAOYSA-N
Mol Weight 406.95 g/mol
Molecular Formula C23H31ClO4
Exact Mass 406.191087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1wO6hYZ2Sp
Name Succinic acid, tridec-2-yn-1-yl 3-chlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.191087174 u
Formula C23H31ClO4
InChI InChI=1S/C23H31ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-18-27-22(25)16-17-23(26)28-21-15-13-14-20(24)19-21/h13-15,19H,2-10,16-18H2,1H3
InChIKey KAMXRXATTZHJKL-UHFFFAOYSA-N
Molecular Weight 406.950 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OC1=CC(=CC=C1)Cl)=O