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Bicyclo[3.3.1]non-6-en-2-one, 1,4,5-trimethyl-, endo-
SpectraBase Compound ID HRydjJ8mSNF
InChI InChI=1S/C12H18O/c1-9-7-10(13)12(3)6-4-5-11(9,2)8-12/h4-5,9H,6-8H2,1-3H3
InChIKey CKTHQCGKHHNDME-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 Bl9tnwcmkX2
Name Bicyclo[3.3.1]non-6-en-2-one, 1,4,5-trimethyl-, endo-
Alternate Name(s) 1,4,5-trimethylbicyclo[3.3.1]non-6-en-2-one 1,4-endo,5-trimethylbicyclo[3.3.1]non-6-en-2-one
CAS Registry Number 89780-42-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-9-7-10(13)12(3)6-4-5-11(9,2)8-12/h4-5,9H,6-8H2,1-3H3
InChIKey CKTHQCGKHHNDME-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
SMILES C12(CC(C)(CC=C2)C(CC1C)=O)C
SPLASH splash10-052f-9700000000-4a4657fcbcb2e70a6e60
Source of Spectrum H-67-200-0
Wiley ID 1174644