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(1S*,4R*,7R*,8R*)-8-Hydroxymethyl-1,5,7-trimethylbicyclo[2.2.2]oct-5-en-2-one

View entire compound with spectra: 1 MS (GC)

(1S*,4R*,7R*,8R*)-8-Hydroxymethyl-1,5,7-trimethylbicyclo[2.2.2]oct-5-en-2-one
SpectraBase Compound ID 3Hnh2dFlzc1
InChI InChI=1S/C12H18O2/c1-7-5-12(3)8(2)10(6-13)9(7)4-11(12)14/h5,8-10,13H,4,6H2,1-3H3/t8-,9-,10-,12-/m1/s1
InChIKey XITSJRIPLIPTCB-DNRKLUKYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID By7jDFMWfcP
Name (1S*,4R*,7R*,8R*)-8-Hydroxymethyl-1,5,7-trimethylbicyclo[2.2.2]oct-5-en-2-one
Alternate Name(s) (1S,4R,7R,8R)-8-(hydroxymethyl)-1,5,7-trimethylbicyclo[2.2.2]oct-5-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-7-5-12(3)8(2)10(6-13)9(7)4-11(12)14/h5,8-10,13H,4,6H2,1-3H3/t8-,9-,10-,12-/m1/s1
InChIKey XITSJRIPLIPTCB-DNRKLUKYSA-N
Literature Reference DOI 10.1021/ol702062p
Molecular Weight 194.274 g/mol
SMILES OC[C@@]1([C@]([C@]2(C=C(C)[C@]1(CC2=O)[H])C)(C)[H])[H]
SPLASH splash10-00di-0900000000-67fd1a42099bf0556a6c
Source of Spectrum A1-9-4563/SMS4-9
Wiley ID 1758724