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

View entire compound with spectra: 1 NMR

Succinic acid, tridec-2-yn-1-yl 2-chlorophenyl ester
SpectraBase Compound ID 6uFo3VOgpMu
InChI InChI=1S/C23H31ClO4/c1-2-3-4-5-6-7-8-9-10-11-14-19-27-22(25)17-18-23(26)28-21-16-13-12-15-20(21)24/h12-13,15-16H,2-10,17-19H2,1H3
InChIKey UCYMOQZMVCFZSW-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 DQ18tzalZLX
Name Succinic acid, tridec-2-yn-1-yl 2-chlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.191087174 u
Formula C23H31ClO4
InChI InChI=1S/C23H31ClO4/c1-2-3-4-5-6-7-8-9-10-11-14-19-27-22(25)17-18-23(26)28-21-16-13-12-15-20(21)24/h12-13,15-16H,2-10,17-19H2,1H3
InChIKey UCYMOQZMVCFZSW-UHFFFAOYSA-N
Molecular Weight 406.950 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OC=1C=CC=CC1Cl)=O