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Clavularin B
SpectraBase Compound ID BHneHjNuqlF
InChI InChI=1S/C12H18O2/c1-9-5-3-4-6-11(14)7-8-12(9)10(2)13/h4,6,9,12H,3,5,7-8H2,1-2H3/b6-4-
InChIKey LQQVTFFRWQBZJM-XQRVVYSFSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78NYWv3RfBY
Name Clavularin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-9-5-3-4-6-11(14)7-8-12(9)10(2)13/h4,6,9,12H,3,5,7-8H2,1-2H3/b6-4-
InChIKey LQQVTFFRWQBZJM-XQRVVYSFSA-N
Molecular Weight 194.274 g/mol
SMILES C1(\C=C/CCC(C(CC1)C(C)=O)C)=O
SPLASH splash10-015i-9600000000-6300e96f50058cb8f662
Source of Spectrum SO-0-1101-1
Synonyms (2Z)-7-acetyl-6-methyl-1-cyclonon-2-enone (2Z)-7-acetyl-6-methylcyclonon-2-en-1-one (2Z)-7-ethanoyl-6-methyl-cyclonon-2-en-1-one
Wiley ID 1545972