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3-Acetyl-2,7,7-trimethylbicyclo[3.1.1]hept-2-ene
SpectraBase Compound ID La0DWuKmdmL
InChI InChI=1S/C12H18O/c1-7-10(8(2)13)5-9-6-11(7)12(9,3)4/h9,11H,5-6H2,1-4H3
InChIKey LIXBAEKNTAWPBT-UHFFFAOYSA-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 H3Y9b7UnrDS
Name 3-Acetyl-2,7,7-trimethylbicyclo[3.1.1]hept-2-ene
Alternate Name(s) 1-(2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-7-10(8(2)13)5-9-6-11(7)12(9,3)4/h9,11H,5-6H2,1-4H3
InChIKey LIXBAEKNTAWPBT-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
SMILES C12C(=C(CC(C2)C1(C)C)C(=O)C)C
SPLASH splash10-00kf-9800000000-25db2f439dc5d0e657ca
Source of Spectrum SO-0-702-5
Wiley ID 1540162