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Pestalochromone C
SpectraBase Compound ID D0wu0SOcW8W
InChI InChI=1S/C11H11ClO3/c1-11(2)5-9(14)7-3-6(13)4-8(12)10(7)15-11/h3-4,13H,5H2,1-2H3
InChIKey PWQMDQRKRVDIMZ-UHFFFAOYSA-N
Mol Weight 226.66 g/mol
Molecular Formula C11H11ClO3
Exact Mass 226.039672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kz8C3MtaGB
Name Pestalochromone C
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11ClO3
InChI InChI=1S/C11H11ClO3/c1-11(2)5-9(14)7-3-6(13)4-8(12)10(7)15-11/h3-4,13H,5H2,1-2H3
InChIKey PWQMDQRKRVDIMZ-UHFFFAOYSA-N
Molecular Weight 226.659 g/mol
SMILES Oc1cc2c(OC(C)(C)CC2=O)c(c1)Cl
SPLASH splash10-03di-0290000000-c86ab0fa21ef799c47dd
Source of Spectrum F-68-2305-7
Synonyms 8-Chloro-6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one 8-Chloro-6-hydroxy-2,2-dimethyl-3H-chromen-4-one 8-Chloranyl-2,2-dimethyl-6-oxidanyl-3H-chromen-4-one
Wiley ID 1708000