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(1R,3R,6S)-3-methylnorcaran-2-one
SpectraBase Compound ID Ec50ymT50dH
InChI InChI=1S/C8H12O/c1-5-2-3-6-4-7(6)8(5)9/h5-7H,2-4H2,1H3/t5-,6+,7-/m1/s1
InChIKey ABNKDHYMZNCQRR-DSYKOEDSSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxaQXEiKlza
Name (1R,3R,6S)-3-methylnorcaran-2-one
Alternate Name(s) (1S,4R,6R)-4-methyl-5-bicyclo[4.1.0]heptanone (1S,4R,6R)-4-methylbicyclo[4.1.0]heptan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O
InChI InChI=1S/C8H12O/c1-5-2-3-6-4-7(6)8(5)9/h5-7H,2-4H2,1H3/t5-,6+,7-/m1/s1
InChIKey ABNKDHYMZNCQRR-DSYKOEDSSA-N
Molecular Weight 124.183 g/mol
SMILES [C@@]12(C[C@@]2(CC[C@](C1=O)(C)[H])[H])[H]
SPLASH splash10-106r-9400000000-681daec852f76c6f0540
Source of Spectrum F-54-2676-10
Wiley ID 806209