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5-Ethyltricyclo[5.2.1.0(2,6)]dec-8-en-3-one

View entire compound with spectra: 1 MS (GC)

5-Ethyltricyclo[5.2.1.0(2,6)]dec-8-en-3-one
SpectraBase Compound ID IOASRVdQjj8
InChI InChI=1S/C12H16O/c1-2-7-6-10(13)12-9-4-3-8(5-9)11(7)12/h3-4,7-9,11-12H,2,5-6H2,1H3/t7?,8-,9+,11+,12-/m0/s1
InChIKey IIAFMHNLXYPWLQ-SEYAGOGRSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeDKWhnU0k9
Name 5-Ethyltricyclo[5.2.1.0(2,6)]dec-8-en-3-one
Alternate Name(s) (3aR,4S,7R,7aS)-3-ethyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoinden-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-2-7-6-10(13)12-9-4-3-8(5-9)11(7)12/h3-4,7-9,11-12H,2,5-6H2,1H3/t7?,8-,9+,11+,12-/m0/s1
InChIKey IIAFMHNLXYPWLQ-SEYAGOGRSA-N
Literature Reference DOI 10.1002/cber.19861190513
Molecular Weight 176.259 g/mol
SMILES C=1[C@]2(C[C@@](C1)([C@@]1([C@@]2(C(CC1=O)CC)[H])[H])[H])[H]
SPLASH splash10-04i0-8900000000-3edf15ffd32a6aa99870
Source of Spectrum K-119-1591-16b
Wiley ID 1794489