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(1R*,5R*,8R*)-4,8-Dimethyltricyclo[3.3.3.0]undec-3-en-2-one
SpectraBase Compound ID 2MeUQEtWqvI
InChI InChI=1S/C13H18O/c1-9-4-7-12-5-3-6-13(9,12)11(14)8-10(12)2/h8-9H,3-7H2,1-2H3/t9-,12-,13+/m1/s1
InChIKey QIRNXBGKZJHQHQ-WQAKAFBOSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8G6h41DCCSg
Name (1R*,5R*,8R*)-4,8-Dimethyltricyclo[3.3.3.0]undec-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-9-4-7-12-5-3-6-13(9,12)11(14)8-10(12)2/h8-9H,3-7H2,1-2H3/t9-,12-,13+/m1/s1
InChIKey QIRNXBGKZJHQHQ-WQAKAFBOSA-N
Literature Reference DOI 10.1002/hlca.19810640417
Molecular Weight 190.286 g/mol
SMILES C=1([C@]23CC[C@]([C@@]3(CCC2)C(C1)=O)(C)[H])C
SPLASH splash10-01rg-2900000000-8300d17a1391a26ade80
Source of Spectrum H-64-1131-17
Synonyms (3aR,6R,6aR)-3,6-dimethyl-5,6-dihydro-1H,4H-3a,6a-propanopentalen-1-one
Wiley ID 1797565