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4-((1S,6R,7S)-6-methylbicyclo[4.1.0]hept-2-en-7-yl)butan-2-one
SpectraBase Compound ID AUyKufbkfcj
InChI InChI=1S/C12H18O/c1-9(13)6-7-11-10-5-3-4-8-12(10,11)2/h3,5,10-11H,4,6-8H2,1-2H3/t10-,11-,12-/m0/s1
InChIKey RWTVZLVKCBBKII-SRVKXCTJSA-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 FWVE4k4QN7n
Name 4-((1S,6R,7S)-6-methylbicyclo[4.1.0]hept-2-en-7-yl)butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-9(13)6-7-11-10-5-3-4-8-12(10,11)2/h3,5,10-11H,4,6-8H2,1-2H3/t10-,11-,12-/m0/s1
InChIKey RWTVZLVKCBBKII-SRVKXCTJSA-N
Literature Reference DOI 10.1002/cbdv.200590005
Molecular Weight 178.275 g/mol
SMILES C1=C[C@@]2([C@](C)(CC1)[C@]2(CCC(C)=O)[H])[H]
SPLASH splash10-0006-9300000000-fa1799382dad1b44a6a1
Source of Spectrum CBD-2-230-2
Synonyms Traginone
Wiley ID 1792460