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5-Chloro-4,7,7-trimethylbicyclo(2.2.2)octan-2-one
SpectraBase Compound ID 5cY8KbTzoPR
InChI InChI=1S/C11H17ClO/c1-10(2)6-11(3)5-8(13)7(10)4-9(11)12/h7,9H,4-6H2,1-3H3/t7-,9+,11+/m1/s1
InChIKey QOSMBNMNBAMIBY-HDBBIHSSSA-N
Mol Weight 200.71 g/mol
Molecular Formula C11H17ClO
Exact Mass 200.096793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PPPPSLVjlp
Name 5-Chloro-4,7,7-trimethylbicyclo(2.2.2)octan-2-one
CAS Registry Number 72968-00-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17ClO
InChI InChI=1S/C11H17ClO/c1-10(2)6-11(3)5-8(13)7(10)4-9(11)12/h7,9H,4-6H2,1-3H3/t7-,9+,11+/m1/s1
InChIKey QOSMBNMNBAMIBY-HDBBIHSSSA-N
Molecular Weight 200.709 g/mol
SMILES [C@]12(CC(C)(C)[C@](C[C@@]2(Cl)[H])(C(C1)=O)[H])C
SPLASH splash10-0a4l-8930000000-1f83308c830bc7a6cb1f
Source of Spectrum J-45-1862-0
Wiley ID 1197664