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Benzoic acid, 3-chloro-4-methoxy-2,5-dimethyl-6-(phenylmethoxy)-
SpectraBase Compound ID BDn8NE6K0ip
InChI InChI=1S/C17H17ClO4/c1-10-13(17(19)20)15(11(2)16(21-3)14(10)18)22-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,19,20)
InChIKey BLZOWPRBZCSUCM-UHFFFAOYSA-N
Mol Weight 320.77 g/mol
Molecular Formula C17H17ClO4
Exact Mass 320.081537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6QIavJeJJi
Name Benzoic acid, 3-chloro-4-methoxy-2,5-dimethyl-6-(phenylmethoxy)-
Alternate Name(s) 3-chloro-4-methoxy-2,5-dimethyl-6-phenylmethoxybenzoic acid 2-benzyloxy-5-chloro-4-methoxy-3,6-dimethyl-benzoic acid 3-chloranyl-4-methoxy-2,5-dimethyl-6-phenylmethoxy-benzoic acid
CAS Registry Number 60138-96-7
Comments Less than 3 mono-isotopic peaks
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Formula C17H17ClO4
InChI InChI=1S/C17H17ClO4/c1-10-13(17(19)20)15(11(2)16(21-3)14(10)18)22-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,19,20)
InChIKey BLZOWPRBZCSUCM-UHFFFAOYSA-N
Molecular Weight 320.772 g/mol
SMILES OC(c1c(c(C)c(c(c1C)Cl)OC)OCc1ccccc1)=O
SPLASH splash10-0006-9003000000-e948a989114e8211c761
Source of Spectrum B-40-1587-22
Wiley ID 1319990