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Benzoic acid, 3,5-dichloro-2,4-dihydroxy-6-pentyl-
SpectraBase Compound ID 3mQM37nDMYV
InChI InChI=1S/C12H14Cl2O4/c1-2-3-4-5-6-7(12(17)18)10(15)9(14)11(16)8(6)13/h15-16H,2-5H2,1H3,(H,17,18)
InChIKey NFASENGEDPDADX-UHFFFAOYSA-N
Mol Weight 293.15 g/mol
Molecular Formula C12H14Cl2O4
Exact Mass 292.026914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6boqVB3S56L
Name Benzoic acid, 3,5-dichloro-2,4-dihydroxy-6-pentyl-
Alternate Name(s) 3,5-Dichloro-2,4-dihydroxy-6-pentylbenzoic acid 2-Amyl-3,5-dichloro-4,6-dihydroxy-benzoic acid 3,5-bis(chloranyl)-2,4-bis(oxidanyl)-6-pentyl-benzoic acid
CAS Registry Number 64185-27-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14Cl2O4
InChI InChI=1S/C12H14Cl2O4/c1-2-3-4-5-6-7(12(17)18)10(15)9(14)11(16)8(6)13/h15-16H,2-5H2,1H3,(H,17,18)
InChIKey NFASENGEDPDADX-UHFFFAOYSA-N
Molecular Weight 293.146 g/mol
SMILES Oc1c(c(c(C(O)=O)c(c1Cl)O)CCCCC)Cl
SPLASH splash10-0006-0960000000-681aaa3009338542271f
Source of Spectrum W5-26239-0-0
Wiley ID 1294983