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Benzoic acid, 3-formyl-6-hydroxy-4-methoxy-2-pentyl-, phenylmethyl ester
SpectraBase Compound ID 2lNYABjJuuX
InChI InChI=1S/C21H24O5/c1-3-4-6-11-16-17(13-22)19(25-2)12-18(23)20(16)21(24)26-14-15-9-7-5-8-10-15/h5,7-10,12-13,23H,3-4,6,11,14H2,1-2H3
InChIKey JSHDGIUJCNUKJH-UHFFFAOYSA-N
Mol Weight 356.42 g/mol
Molecular Formula C21H24O5
Exact Mass 356.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7JrxmmiDEt
Name Benzoic acid, 3-formyl-6-hydroxy-4-methoxy-2-pentyl-, phenylmethyl ester
CAS Registry Number 124281-27-2
Comments Less than 3 mono-isotopic peaks
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Formula C21H24O5
InChI InChI=1S/C21H24O5/c1-3-4-6-11-16-17(13-22)19(25-2)12-18(23)20(16)21(24)26-14-15-9-7-5-8-10-15/h5,7-10,12-13,23H,3-4,6,11,14H2,1-2H3
InChIKey JSHDGIUJCNUKJH-UHFFFAOYSA-N
Molecular Weight 356.418 g/mol
SMILES Oc1c(c(c(C=O)c(c1)OC)CCCCC)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-6267107d3b31f6e6757c
Source of Spectrum B-42-991-10
Synonyms benzyl 3-formyl-6-hydroxy-4-methoxy-2-pentylbenzoate Ethyl 5-(2-benzyloxy-3-methoxyphenyl)-3-oxopentanoate
Wiley ID 1345915