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Benzoic acid, 3-formyl-2-hydroxy-6-methyl-4-(phenylmethoxy)-, ethyl ester
SpectraBase Compound ID ISqQwrWxMHx
InChI InChI=1S/C18H18O5/c1-3-22-18(21)16-12(2)9-15(14(10-19)17(16)20)23-11-13-7-5-4-6-8-13/h4-10,20H,3,11H2,1-2H3
InChIKey ZJDAEOVIUDSFQQ-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C18H18O5
Exact Mass 314.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Geqlbj06Mce
Name Benzoic acid, 3-formyl-2-hydroxy-6-methyl-4-(phenylmethoxy)-, ethyl ester
Alternate Name(s) Ethyl 3-formyl-4-benzyloxy-2-hydroxy-6-methylbenzoate ethyl 4-(benzyloxy)-3-formyl-2-hydroxy-6-methylbenzoate
CAS Registry Number 124281-12-5
Comments Less than 3 mono-isotopic peaks
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Formula C18H18O5
InChI InChI=1S/C18H18O5/c1-3-22-18(21)16-12(2)9-15(14(10-19)17(16)20)23-11-13-7-5-4-6-8-13/h4-10,20H,3,11H2,1-2H3
InChIKey ZJDAEOVIUDSFQQ-UHFFFAOYSA-N
Molecular Weight 314.337 g/mol
SMILES Oc1c(c(cc(OCc2ccccc2)c1C=O)C)C(=O)OCC
SPLASH splash10-0006-9001000000-986b14a988017284f6be
Source of Spectrum B-42-768-9
Wiley ID 1315100