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1-Methyl-4-formylbicyclo[5.4.0]undec-3-en-2-one
SpectraBase Compound ID 6wFz9ZGGOwh
InChI InChI=1S/C13H18O2/c1-13-7-3-2-4-11(13)6-5-10(9-14)8-12(13)15/h8-9,11H,2-7H2,1H3/t11-,13+/m1/s1
InChIKey NMUXNNZFMWNUPD-YPMHNXCESA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VKfTFMHfD5
Name 1-Methyl-4-formylbicyclo[5.4.0]undec-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-13-7-3-2-4-11(13)6-5-10(9-14)8-12(13)15/h8-9,11H,2-7H2,1H3/t11-,13+/m1/s1
InChIKey NMUXNNZFMWNUPD-YPMHNXCESA-N
Molecular Weight 206.285 g/mol
SMILES C1([C@@]2([C@@](CCC(=C1)C=O)(CCCC2)[H])C)=O
SPLASH splash10-0a4i-6920000000-d6a26933597434cf7e80
Source of Spectrum AT-31-1876-3
Synonyms (1S,7R)-1-Methyl-4-formylbicyclo[5.4.0]undec-3-en-2-one 9a-methyl-9-oxo-2,3,4,4a,5,6,9,9a-octahydro-1H-benzo[a]cycloheptene-7-carbaldehyde
Wiley ID 835704