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5-formyl-2,4-dihydroxy-3-isopropyl-6-methyl-benzoic acid methyl ester
SpectraBase Compound ID 9uFORf5FRip
InChI InChI=1S/C13H16O5/c1-6(2)9-11(15)8(5-14)7(3)10(12(9)16)13(17)18-4/h5-6,15-16H,1-4H3
InChIKey ICNMAXDBBPGLLX-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49ERwyY4Fii
Name 5-formyl-2,4-dihydroxy-3-isopropyl-6-methyl-benzoic acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-6(2)9-11(15)8(5-14)7(3)10(12(9)16)13(17)18-4/h5-6,15-16H,1-4H3
InChIKey ICNMAXDBBPGLLX-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES Oc1c(c(c(c(c1C(C)C)O)C(=O)OC)C)C=O
SPLASH splash10-0a4l-0290000000-2e8d38a0a25364dbfc7d
Source of Spectrum C5-2005-528-4
Synonyms 5-formyl-2,4-dihydroxy-6-methyl-3-propan-2-ylbenzoic acid methyl ester Methyl 3-methanoyl-2-methyl-4,6-bis(oxidanyl)-5-propan-2-yl-benzoate Methyl 5-formyl-2,4-dihydroxy-3-isopropyl-6-methyl-benzoate Methyl 5-formyl-2,4-dihydroxy-6-methyl-3-propan-2-ylbenzoate
Wiley ID 1618099