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Glutaric acid, dodec-2-en-1-yl 2,3,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, dodec-2-en-1-yl 2,3,5-trichlorophenyl ester
SpectraBase Compound ID BlCkgHpQVbC
InChI InChI=1S/C23H31Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-15-29-21(27)13-12-14-22(28)30-20-17-18(24)16-19(25)23(20)26/h10-11,16-17H,2-9,12-15H2,1H3/b11-10+
InChIKey DTMMDEHJTZDINC-ZHACJKMWSA-N
Mol Weight 477.86 g/mol
Molecular Formula C23H31Cl3O4
Exact Mass 476.128793 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xRSPsNndsW
Name Glutaric acid, dodec-2-en-1-yl 2,3,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.128792574 u
Formula C23H31Cl3O4
InChI InChI=1S/C23H31Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-15-29-21(27)13-12-14-22(28)30-20-17-18(24)16-19(25)23(20)26/h10-11,16-17H,2-9,12-15H2,1H3/b11-10+
InChIKey DTMMDEHJTZDINC-ZHACJKMWSA-N
Molecular Weight 477.856 g/mol
SMILES C(CCC(OC\C=C\CCCCCCCCC)=O)C(OC1=C(C(=CC(=C1)Cl)Cl)Cl)=O