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Bicyclo[3.1.0]hexan-3-one, 4-methoxy-4-methyl-1-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,5.alpha.)]-
SpectraBase Compound ID IAiqxnsyUcS
InChI InChI=1S/C11H18O2/c1-7(2)11-5-8(11)10(3,13-4)9(12)6-11/h7-8H,5-6H2,1-4H3/t8-,10-,11+/m1/s1
InChIKey NGQFMCRMXBENRW-IEBDPFPHSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TK7hvYsAj2
Name Bicyclo[3.1.0]hexan-3-one, 4-methoxy-4-methyl-1-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,5.alpha.)]-
CAS Registry Number 121666-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-7(2)11-5-8(11)10(3,13-4)9(12)6-11/h7-8H,5-6H2,1-4H3/t8-,10-,11+/m1/s1
InChIKey NGQFMCRMXBENRW-IEBDPFPHSA-N
Molecular Weight 182.263 g/mol
SMILES [C@@]12([C@]([C@](OC)(C)C(C2)=O)([H])C1)C(C)C
SPLASH splash10-0ab9-0900000000-24329ddca218ca5f8ae3
Source of Spectrum KC-1988-1534-14
Synonyms (-)(1S,4R,5S)-4-methoxythujan-3-one (1S,4R,5S)-1-isopropyl-4-methoxy-4-methylbicyclo[3.1.0]hexan-3-one
Wiley ID 1178838