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(1R,6S)-3-methylbicyclo[4.2.0]oct-2-en-7-one

View entire compound with spectra: 1 MS (GC)

(1R,6S)-3-methylbicyclo[4.2.0]oct-2-en-7-one
SpectraBase Compound ID BhE6gMK6Rr0
InChI InChI=1S/C9H12O/c1-6-2-3-8-7(4-6)5-9(8)10/h4,7-8H,2-3,5H2,1H3/t7-,8-/m0/s1
InChIKey PFZDCHXNQPUIND-YUMQZZPRSA-N
Mol Weight 136.19 g/mol
Molecular Formula C9H12O
Exact Mass 136.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOSXPCtPyVE
Name (1R,6S)-3-methylbicyclo[4.2.0]oct-2-en-7-one
Alternate Name(s) cis-3-Methylbicyclo[4.2.0]oct-2-en-7-one (1S,6R)-4-methyl-8-bicyclo[4.2.0]oct-4-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O
InChI InChI=1S/C9H12O/c1-6-2-3-8-7(4-6)5-9(8)10/h4,7-8H,2-3,5H2,1H3/t7-,8-/m0/s1
InChIKey PFZDCHXNQPUIND-YUMQZZPRSA-N
Molecular Weight 136.194 g/mol
SMILES [C@]12([C@@](CCC(=C2)C)([H])C(C1)=O)[H]
SPLASH splash10-004l-9000000000-e8d8480b1e7122166ca3
Source of Spectrum K-2001-2649-17
Wiley ID 1579866