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2-Butanone, 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-, endo-
SpectraBase Compound ID 6f0Y1C4ugFK
InChI InChI=1S/C13H22O/c1-4-11(14)8-12-9-5-6-10(7-9)13(12,2)3/h9-10,12H,4-8H2,1-3H3/t9-,10-,12+/m0/s1
InChIKey APKGWQBRKSERFI-JBLDHEPKSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgYtkl50nUF
Name 2-Butanone, 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-, endo-
Alternate Name(s) 1-(3,3-Dimethyl-bicyclo[2.2.1]hept-2-yl)butan-2-one 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-butanone
CAS Registry Number 101372-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-4-11(14)8-12-9-5-6-10(7-9)13(12,2)3/h9-10,12H,4-8H2,1-3H3/t9-,10-,12+/m0/s1
InChIKey APKGWQBRKSERFI-JBLDHEPKSA-N
Molecular Weight 194.318 g/mol
SMILES C1([C@@]([C@@]2(C[C@@]1(CC2)[H])[H])(CC(=O)CC)[H])(C)C
SPLASH splash10-004i-6900000000-17e80958ea98325ba734
Source of Spectrum AH-116-817-29
Wiley ID 1191462