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3,4-DIHYDROXY-5-(3'-METHYL-4'-OXOBUT-2'-ENYL)-BENZALDEHYDE,MONTADIAL-A
SpectraBase Compound ID 1c7POOw3dps
InChI InChI=1S/C12H12O4/c1-8(6-13)2-3-10-4-9(7-14)5-11(15)12(10)16/h2,4-7,15-16H,3H2,1H3/b8-2+
InChIKey GYXDZVGSSXSODD-KRXBUXKQSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FthClkaNbyA
Name Montadial
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-8(6-13)2-3-10-4-9(7-14)5-11(15)12(10)16/h2,4-7,15-16H,3H2,1H3/b8-2+
InChIKey GYXDZVGSSXSODD-KRXBUXKQSA-N
Molecular Weight 220.224 g/mol
SMILES Oc1cc(cc(c1O)C\C=C\(C=O)C)C=O
SPLASH splash10-00di-1790000000-b31dd345ac316c846890
Source of Spectrum G4-62-1426-1
Synonyms 3,4-Dihydroxy-5-[(E)-3-methyl-4-oxo-but-2-enyl]benzaldehyde 3,4-Dihydroxy-5-[(E)-4-keto-3-methyl-but-2-enyl]benzaldehyde 3-[(E)-3-methyl-4-oxidanylidene-but-2-enyl]-4,5-bis(oxidanyl)benzaldehyde
Wiley ID 1608040