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(1R,6S)-6-isopropyl-7-methylene-bicyclo[4.2.0]octan-2-one
SpectraBase Compound ID 77ltnEzKHxr
InChI InChI=1S/C12H18O/c1-8(2)12-6-4-5-11(13)10(12)7-9(12)3/h8,10H,3-7H2,1-2H3/t10-,12+/m0/s1
InChIKey ONARUBOQWCDINS-CMPLNLGQSA-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 5Ia7nSClWgI
Name (1R,6S)-6-isopropyl-7-methylene-bicyclo[4.2.0]octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-8(2)12-6-4-5-11(13)10(12)7-9(12)3/h8,10H,3-7H2,1-2H3/t10-,12+/m0/s1
InChIKey ONARUBOQWCDINS-CMPLNLGQSA-N
Molecular Weight 178.275 g/mol
SMILES [C@]12(C(=C)C[C@]2(C(=O)CCC1)[H])C(C)C
SPLASH splash10-06ri-0900000000-1421ace7aeab78cb1382
Source of Spectrum J-60-6560-25
Synonyms (1R,6S)-7-methylene-6-propan-2-yl-2-bicyclo[4.2.0]octanone (1R,6S)-7-methylidene-6-propan-2-yl-bicyclo[4.2.0]octan-2-one
Wiley ID 1174821