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VYGLBTZLOQTMBG-UHFFFAOYSA-N
SpectraBase Compound ID ADoXyS2ejM3
InChI InChI=1S/C7H7ClO2/c1-4-2-5(9)3-6(10)7(4)8/h2-3,9-10H,1H3
InChIKey VYGLBTZLOQTMBG-UHFFFAOYSA-N
Mol Weight 158.58 g/mol
Molecular Formula C7H7ClO2
Exact Mass 158.013457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MiNAfVD8Ri
Name 1,3-Benzenediol, 4-chloro-5-methyl-
Alternate Name(s) 4-chloranyl-5-methyl-benzene-1,3-diol 4-chloro-5-methyl-1,3-benzenediol 4-chloro-5-methyl-benzene-1,3-diol 4-chloro-5-methyl-resorcinol 4-Chloroorcinol Resorcinol, 4-chloro-5-methyl- BRN 2085572
CAS Registry Number 3446-05-7
Comments Less than 3 mono-isotopic peaks
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Formula C7H7ClO2
InChI InChI=1S/C7H7ClO2/c1-4-2-5(9)3-6(10)7(4)8/h2-3,9-10H,1H3
InChIKey VYGLBTZLOQTMBG-UHFFFAOYSA-N
Molecular Weight 158.584 g/mol
SMILES Oc1cc(c(c(c1)O)Cl)C
SPLASH splash10-0a4i-0900000000-aea031729a0f77c7f9ab
Source of Spectrum F-38-1223-0
Wiley ID 1154971