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PAPULOSIC-ACID
SpectraBase Compound ID 6cd4ybtcILG
InChI InChI=1S/C16H14O8/c1-6-3-8(17)5-9(18)11(6)16(23)24-14-10(19)4-7(2)12(13(14)20)15(21)22/h3-5,17-20H,1-2H3,(H,21,22)
InChIKey TXCSQYRBQCKQLU-UHFFFAOYSA-N
Mol Weight 334.28 g/mol
Molecular Formula C16H14O8
Exact Mass 334.068867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzZ6kQ6kMec
Name 3-(2',4'-Dihydroxy-6'-methylbenzoyloxy)-2,4-dihydroxy-6-methylbenzoic acid
Alternate Name(s) 3-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2,4-dihydroxy-6-methylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O8
InChI InChI=1S/C16H14O8/c1-6-3-8(17)5-9(18)11(6)16(23)24-14-10(19)4-7(2)12(13(14)20)15(21)22/h3-5,17-20H,1-2H3,(H,21,22)
InChIKey TXCSQYRBQCKQLU-UHFFFAOYSA-N
Molecular Weight 334.280 g/mol
SMILES Oc1cc(c(c(c1OC(c1c(cc(cc1C)O)O)=O)O)C(=O)O)C
SPLASH splash10-0uxr-0901000000-381ec7ca096b9aa38188
Source of Spectrum B-51-1050-41
Wiley ID 745858