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Pimelic acid, 2,3,6-trichlorophenyl hexyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,3,6-trichlorophenyl hexyl ester
SpectraBase Compound ID J4rNy4on9Wv
InChI InChI=1S/C19H25Cl3O4/c1-2-3-4-8-13-25-16(23)9-6-5-7-10-17(24)26-19-15(21)12-11-14(20)18(19)22/h11-12H,2-10,13H2,1H3
InChIKey VXJSOCHMWYBAFU-UHFFFAOYSA-N
Mol Weight 423.76 g/mol
Molecular Formula C19H25Cl3O4
Exact Mass 422.081842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IB61n1axJBE
Name Pimelic acid, 2,3,6-trichlorophenyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25Cl3O4
InChI InChI=1S/C19H25Cl3O4/c1-2-3-4-8-13-25-16(23)9-6-5-7-10-17(24)26-19-15(21)12-11-14(20)18(19)22/h11-12H,2-10,13H2,1H3
InChIKey VXJSOCHMWYBAFU-UHFFFAOYSA-N
Molecular Weight 423.764 g/mol
SMILES C(CCCCCC(Oc1c(c(ccc1Cl)Cl)Cl)=O)(OCCCCCC)=O
SPLASH splash10-002f-9810000000-4ff0c37b1add24d3c74b
Source of Spectrum TIPS-2022-586-0
Wiley ID 1822103