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4-Azulenecarboxylic acid, decahydro-5-hydroxy-5-methyl-2,7-dioxo-
SpectraBase Compound ID cd9sFtStqY
InChI InChI=1S/C12H16O5/c1-12(17)5-8(14)3-6-2-7(13)4-9(6)10(12)11(15)16/h6,9-10,17H,2-5H2,1H3,(H,15,16)
InChIKey JHQXPQPCMBYWRB-UHFFFAOYSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jgI1GpIek3
Name 4-Azulenecarboxylic acid, decahydro-5-hydroxy-5-methyl-2,7-dioxo-
CAS Registry Number 62359-93-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-12(17)5-8(14)3-6-2-7(13)4-9(6)10(12)11(15)16/h6,9-10,17H,2-5H2,1H3,(H,15,16)
InChIKey JHQXPQPCMBYWRB-UHFFFAOYSA-N
Molecular Weight 240.255 g/mol
SMILES OC1(CC(CC2C(C1C(=O)O)CC(C2)=O)=O)C
SPLASH splash10-001i-9300000000-be893fa8c64f1ba9b1a8
Source of Spectrum K-110-152-0
Synonyms 5-Hydroxy-5-methyl-2,7-dioxo-3,3a,4,6,8,8a-hexahydro-1H-azulene-4-carboxylic acid 5-Methyl-5-oxidanyl-2,7-bis(oxidanylidene)-3,3a,4,6,8,8a-hexahydro-1H-azulene-4-carboxylic acid
Wiley ID 1242647