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2-Butanone, 4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-, exo-
SpectraBase Compound ID 5LR9VjkkMly
InChI InChI=1S/C13H22O/c1-9(14)4-7-12-10-5-6-11(8-10)13(12,2)3/h10-12H,4-8H2,1-3H3/t10-,11-,12+/m0/s1
InChIKey XLFDICYOAPFXSX-SDDRHHMPSA-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 1lbBFmpm4Ne
Name 2-Butanone, 4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-, exo-
CAS Registry Number 113104-65-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-9(14)4-7-12-10-5-6-11(8-10)13(12,2)3/h10-12H,4-8H2,1-3H3/t10-,11-,12+/m0/s1
InChIKey XLFDICYOAPFXSX-SDDRHHMPSA-N
Molecular Weight 194.318 g/mol
SMILES C1([C@@]([C@@]2(C[C@@]1(CC2)[H])[H])(CCC(=O)C)[H])(C)C
SPLASH splash10-00kf-9100000000-b720cdc5aec0d90fecac
Source of Spectrum AH-118-393-10
Synonyms 4-(3,3-Dimethyl-2-exo-norbornyl)-butan-2-one 4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-butanone 4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-butanone 4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-one
Wiley ID 1191498