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Pimelic acid, 2,3,6-trichlorophenyl decyl ester
SpectraBase Compound ID 7IqdHLfOyq1
InChI InChI=1S/C23H33Cl3O4/c1-2-3-4-5-6-7-8-12-17-29-20(27)13-10-9-11-14-21(28)30-23-19(25)16-15-18(24)22(23)26/h15-16H,2-14,17H2,1H3
InChIKey NVPIELMAGUSUTN-UHFFFAOYSA-N
Mol Weight 479.9 g/mol
Molecular Formula C23H33Cl3O4
Exact Mass 478.144443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZ7VhvHSIZY
Name Pimelic acid, 2,3,6-trichlorophenyl decyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33Cl3O4
InChI InChI=1S/C23H33Cl3O4/c1-2-3-4-5-6-7-8-12-17-29-20(27)13-10-9-11-14-21(28)30-23-19(25)16-15-18(24)22(23)26/h15-16H,2-14,17H2,1H3
InChIKey NVPIELMAGUSUTN-UHFFFAOYSA-N
Molecular Weight 479.872 g/mol
SMILES C(CCCCCC(Oc1c(c(ccc1Cl)Cl)Cl)=O)(OCCCCCCCCCC)=O
SPLASH splash10-002f-9810000000-fb74d0ebbddba3a76bd7
Source of Spectrum TIPS-2022-590-0
Wiley ID 1822107