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Tetrachlorocatechol TCC ester

View entire compound with spectra: 1 MS (GC)

Tetrachlorocatechol TCC ester
SpectraBase Compound ID 6Ea2Q3as5EJ
InChI InChI=1S/C27H14Cl4O4/c28-22-23(29)25(31)27(26(33)24(22)30)35-21(32)12-10-15-6-2-4-8-17(15)20-13-18-16-7-3-1-5-14(16)9-11-19(18)34-20/h1-13,33H/b12-10-
InChIKey KTVIOJYWAOOWCI-BENRWUELSA-N
Mol Weight 544.2 g/mol
Molecular Formula C27H14Cl4O4
Exact Mass 541.96462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87P1csTx4T1
Name Tetrachlorocatechol TCC ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H14Cl4O4
InChI InChI=1S/C27H14Cl4O4/c28-22-23(29)25(31)27(26(33)24(22)30)35-21(32)12-10-15-6-2-4-8-17(15)20-13-18-16-7-3-1-5-14(16)9-11-19(18)34-20/h1-13,33H/b12-10-
InChIKey KTVIOJYWAOOWCI-BENRWUELSA-N
Molecular Weight 544.217 g/mol
SMILES Oc1c(c(c(Cl)c(c1Cl)Cl)Cl)OC(\C=C/c1c(-c2cc3c4c(cccc4)ccc3o2)cccc1)=O
SPLASH splash10-00kk-0190010000-ddfdb7c3ebd360ed8b5f
Source of Spectrum F-48-4437-7
Wiley ID 1404813