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Benzoic acid, 3-chloro-2,4,6-trihydroxy-, phenylmethyl ester
SpectraBase Compound ID 5xLQODAzl2k
InChI InChI=1S/C14H11ClO5/c15-12-10(17)6-9(16)11(13(12)18)14(19)20-7-8-4-2-1-3-5-8/h1-6,16-18H,7H2
InChIKey FUMNNYQLNGABBJ-UHFFFAOYSA-N
Mol Weight 294.69 g/mol
Molecular Formula C14H11ClO5
Exact Mass 294.029501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Q6HIRmyZyD
Name Benzoic acid, 3-chloro-2,4,6-trihydroxy-, phenylmethyl ester
Alternate Name(s) Benzyl 3-chloro-2,4,6-trihydroxybenzoate 3-chloro-2,4,6-trihydroxybenzoic acid (phenylmethyl) ester benzyl 3-chloro-2,4,6-trihydroxy-benzoate (phenylmethyl) 3-chloranyl-2,4,6-tris(oxidanyl)benzoate
CAS Registry Number 131524-46-4
Comments Less than 3 mono-isotopic peaks
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Formula C14H11ClO5
InChI InChI=1S/C14H11ClO5/c15-12-10(17)6-9(16)11(13(12)18)14(19)20-7-8-4-2-1-3-5-8/h1-6,16-18H,7H2
InChIKey FUMNNYQLNGABBJ-UHFFFAOYSA-N
Molecular Weight 294.690 g/mol
SMILES Oc1c(c(c(c(c1)O)Cl)O)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-ac2a0375a8bb3e48364a
Source of Spectrum B-43-1752-5
Wiley ID 1296846