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Variegatic acid
SpectraBase Compound ID 9tWMlWhYH3g
InChI InChI=1S/C18H12O9/c19-9-3-1-7(5-11(9)21)13-15(23)16(27-18(13)26)14(17(24)25)8-2-4-10(20)12(22)6-8/h1-6,19-23H,(H,24,25)/b16-14+
InChIKey MRRYHTCWZKZVIH-JQIJEIRASA-N
Mol Weight 372.29 g/mol
Molecular Formula C18H12O9
Exact Mass 372.048132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1JSZ8hWBgu
Name Variegatic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12O9
InChI InChI=1S/C18H12O9/c19-9-3-1-7(5-11(9)21)13-15(23)16(27-18(13)26)14(17(24)25)8-2-4-10(20)12(22)6-8/h1-6,19-23H,(H,24,25)/b16-14+
InChIKey MRRYHTCWZKZVIH-JQIJEIRASA-N
Molecular Weight 372.285 g/mol
SMILES Oc1cc(C2=C(\C(=C/(C(=O)O)c3cc(O)c(cc3)O)OC2=O)O)ccc1O
SPLASH splash10-0f6w-4549000000-49a089a88e2c93df1953
Source of Spectrum KC-61-2063-17
Wiley ID 1627840