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Bicyclo[2.2.1]heptan-2-one, 3-(2,2-dimethylpropoxy)-4,7,7-trimethyl-, [1S-(1.alpha.,3.alpha.,4.alpha.)]-
SpectraBase Compound ID BOtnkWca6b5
InChI InChI=1S/C15H26O2/c1-13(2,3)9-17-12-11(16)10-7-8-15(12,6)14(10,4)5/h10,12H,7-9H2,1-6H3/t10-,12-,15+/m1/s1
InChIKey FZZSGGJNWVQSFZ-HCKVZZMMSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Htu9ayZp3rI
Name Bicyclo[2.2.1]heptan-2-one, 3-(2,2-dimethylpropoxy)-4,7,7-trimethyl-, [1S-(1.alpha.,3.alpha.,4.alpha.)]-
Alternate Name(s) (1S,3S)-4,7,7-trimethyl-3-(neopentyloxy)bicyclo[2.2.1]heptan-2-one (1S,3S)3-(2,2-Dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CAS Registry Number 106618-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-13(2,3)9-17-12-11(16)10-7-8-15(12,6)14(10,4)5/h10,12H,7-9H2,1-6H3/t10-,12-,15+/m1/s1
InChIKey FZZSGGJNWVQSFZ-HCKVZZMMSA-N
Molecular Weight 238.371 g/mol
SMILES [C@]12(C([C@]([H])(CC2)C([C@]1(OCC(C)(C)C)[H])=O)(C)C)C
SPLASH splash10-00di-9200000000-d5a70b538c7ccc3c57d0
Source of Spectrum H-68-2108-13
Wiley ID 1241177