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(1R,6R)-1-(3'-Oxopropyl)-6-isopropenyl-3-methyl-2-oxo-3-cyclohexen-1-carboxaldehyde
SpectraBase Compound ID 663LTc0L5ZZ
InChI InChI=1S/C14H18O3/c1-10(2)12-6-5-11(3)13(17)14(12,9-16)7-4-8-15/h5,8-9,12H,1,4,6-7H2,2-3H3/t12-,14+/m1/s1
InChIKey BDLMXGHDASAYJO-OCCSQVGLSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnlOgfnk5DH
Name (1R,6R)-1-(3'-Oxopropyl)-6-isopropenyl-3-methyl-2-oxo-3-cyclohexen-1-carboxaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-10(2)12-6-5-11(3)13(17)14(12,9-16)7-4-8-15/h5,8-9,12H,1,4,6-7H2,2-3H3/t12-,14+/m1/s1
InChIKey BDLMXGHDASAYJO-OCCSQVGLSA-N
Molecular Weight 234.295 g/mol
SMILES [C@@]1(C(C(C)=CC[C@@]1(C(=C)C)[H])=O)(C=O)CCC=O
SPLASH splash10-00el-9300000000-6f2b94cb7cff1e6f1e97
Source of Spectrum F-54-5628-5
Synonyms (1R,6R)-6-isopropenyl-3-methyl-2-oxo-1-(3-oxopropyl)-3-cyclohexene-1-carbaldehyde
Wiley ID 806943