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DECARBOXYCITRINONE
SpectraBase Compound ID E1MktfirPQ5
InChI InChI=1S/C12H12O4/c1-5-7(3)16-12(15)11-9(14)4-8(13)6(2)10(5)11/h4,13-14H,1-3H3
InChIKey KSXQRSIXHZOLHH-UHFFFAOYSA-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 NWFsIqsTEX
Name 3,4,5-trimethyl-6,8-bis(oxidanyl)isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-5-7(3)16-12(15)11-9(14)4-8(13)6(2)10(5)11/h4,13-14H,1-3H3
InChIKey KSXQRSIXHZOLHH-UHFFFAOYSA-N
Molecular Weight 220.224 g/mol
SMILES Oc1cc(c(c2C(=C(OC(c12)=O)C)C)C)O
SPLASH splash10-00di-0390000000-c0b0aa14e8755260895c
Source of Spectrum G4-59-769-1
Synonyms 6,8-Dihydroxy-3,4,5-trimethyl-1H-2-benzopyran-1-one 6,8-Dihydroxy-3,4,5-trimethyl-2-benzopyran-1-one 6,8-Dihydroxy-3,4,5-trimethyl-isochromen-1-one 6,8-Dihydroxy-3,4,5-trimethyl-isocoumarin
Wiley ID 1606395