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ethyl 2,4-dihydroxy-3,5-dichloro-6-pentylbenzoate
SpectraBase Compound ID 8PqyBVCXufC
InChI InChI=1S/C14H18Cl2O4/c1-3-5-6-7-8-9(14(19)20-4-2)12(17)11(16)13(18)10(8)15/h17-18H,3-7H2,1-2H3
InChIKey HVQKDCDUQFEPHJ-UHFFFAOYSA-N
Mol Weight 321.2 g/mol
Molecular Formula C14H18Cl2O4
Exact Mass 320.058214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hkft0pkuoXS
Name ethyl 2,4-dihydroxy-3,5-dichloro-6-pentylbenzoate
CAS Registry Number 104307-55-3
Comments Less than 3 mono-isotopic peaks
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Formula C14H18Cl2O4
InChI InChI=1S/C14H18Cl2O4/c1-3-5-6-7-8-9(14(19)20-4-2)12(17)11(16)13(18)10(8)15/h17-18H,3-7H2,1-2H3
InChIKey HVQKDCDUQFEPHJ-UHFFFAOYSA-N
Molecular Weight 321.200 g/mol
SMILES Oc1c(c(c(c(c1Cl)O)C(=O)OCC)CCCCC)Cl
SPLASH splash10-00di-0090000000-bef78417a13b4241a355
Source of Spectrum B-38-1869-26
Synonyms ethyl 3,5-dichloro-2,4-dihydroxy-6-pentylbenzoate
Wiley ID 1319775