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(4R)-4-[(1S)-4-methylene-1-cyclohex-2-enyl]pentanal
SpectraBase Compound ID 6OxfdUDHN6s
InChI InChI=1S/C12H18O/c1-10-5-7-12(8-6-10)11(2)4-3-9-13/h5,7,9,11-12H,1,3-4,6,8H2,2H3/t11-,12+/m1/s1
InChIKey VMDLXWCVRBUGSB-NEPJUHHUSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqKIJCDxBPd
Name (4R)-4-[(1S)-4-methylene-1-cyclohex-2-enyl]pentanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-10-5-7-12(8-6-10)11(2)4-3-9-13/h5,7,9,11-12H,1,3-4,6,8H2,2H3/t11-,12+/m1/s1
InChIKey VMDLXWCVRBUGSB-NEPJUHHUSA-N
Molecular Weight 178.275 g/mol
SMILES C1=CC(=C)CC[C@]1([C@@](CCC=O)(C)[H])[H]
SPLASH splash10-002f-9500000000-1b8bd2010803057c68a2
Source of Spectrum H-82-1432-6
Synonyms (4R)-4-[(1S)-4-methylenecyclohex-2-en-1-yl]pentanal (4R)-4-[(1S)-4-methylenecyclohex-2-en-1-yl]valeraldehyde (4R)-4-[(1S)-4-methylidenecyclohex-2-en-1-yl]pentanal
Wiley ID 815580