Debug Info

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VMQrKzO86N
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VMQrKzO86N
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(1R,4R,5S)-4,8,8-trimethyl-3-bicyclo[3.2.1]octanone
SpectraBase Compound ID L9Ok9KGYS2E
InChI InChI=1S/C11H18O/c1-7-9-5-4-8(6-10(7)12)11(9,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKey ABXBNWJKXXCADH-HLTSFMKQSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VMQrKzO86N
Name (1R,4R,5S)-4,8,8-trimethyl-3-bicyclo[3.2.1]octanone
CAS Registry Number 110355-06-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-7-9-5-4-8(6-10(7)12)11(9,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKey ABXBNWJKXXCADH-HLTSFMKQSA-N
Molecular Weight 166.264 g/mol
SMILES C1([C@@]2([C@@](C)(C(C[C@]1(CC2)[H])=O)[H])[H])(C)C
SPLASH splash10-052b-9700000000-f82f76f18b2c2f074d1a
Source of Spectrum C-109-6257-9
Synonyms (1R,4R,5S)-4,8,8-trimethylbicyclo[3.2.1]octan-3-one
Wiley ID 1163054
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