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6H-3a,7-Methanoazulen-6-one, octahydro-5,5-dimethyl-, (3a.alpha.,7.alpha.,8a.beta.)-
SpectraBase Compound ID BEt5Yi1MuA0
InChI InChI=1S/C13H20O/c1-12(2)8-13-5-3-4-10(13)6-9(7-13)11(12)14/h9-10H,3-8H2,1-2H3/t9-,10+,13-/m1/s1
InChIKey ILWWRDKZTRPKPI-GBIKHYSHSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2EvhzlMNDc
Name 6H-3a,7-Methanoazulen-6-one, octahydro-5,5-dimethyl-, (3a.alpha.,7.alpha.,8a.beta.)-
Alternate Name(s) (1R,5S,7S)-9,9-dimethyltricyclo[5.3.1.0(1,5)]undecan-8-one 9,9-Dimethytricyclo[5.3.1.0(1,5)]undecan-8-one
CAS Registry Number 91854-71-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-12(2)8-13-5-3-4-10(13)6-9(7-13)11(12)14/h9-10H,3-8H2,1-2H3/t9-,10+,13-/m1/s1
InChIKey ILWWRDKZTRPKPI-GBIKHYSHSA-N
Molecular Weight 192.302 g/mol
SMILES [C@]123CC(C)(C)C([C@](C3)([H])C[C@@]1(CCC2)[H])=O
SPLASH splash10-00mp-4900000000-7ce3f8b02c3c4a0c9049
Source of Spectrum I-62-1162-0
Wiley ID 1189215