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(1R*,2R*,4S*,5R*,6R*)-6-Hydroxy-6-methyl-3-oxatricyclo[3.3.1.0(2,4)]nonan-7-one
SpectraBase Compound ID Hl9tG6VS3kN
InChI InChI=1S/C9H12O3/c1-9(11)5-2-4(3-6(9)10)7-8(5)12-7/h4-5,7-8,11H,2-3H2,1H3/t4-,5-,7-,8+,9-/m1/s1
InChIKey UBQTXTLZUNSPAA-WPRMSWRKSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BXWeQYqLrt
Name (1R*,2R*,4S*,5R*,6R*)-6-Hydroxy-6-methyl-3-oxatricyclo[3.3.1.0(2,4)]nonan-7-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-9(11)5-2-4(3-6(9)10)7-8(5)12-7/h4-5,7-8,11H,2-3H2,1H3/t4-,5-,7-,8+,9-/m1/s1
InChIKey UBQTXTLZUNSPAA-WPRMSWRKSA-N
Instrument Name Hewlett-Packard 5971A or Thermo-Finnigan Polaris Q or Jeol JSM-GCMat-eII or JMS-SX 102
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2017.08.008
Molecular Weight 168.192 g/mol
SMILES O[C@]1(C)[C@@]2(C[C@](CC1=O)([C@@]1([C@]2(O1)[H])[H])[H])[H]
SPLASH splash10-01qd-9200000000-266448d800c837a32004
Source of Spectrum AJC-13-910-16
Thin-Layer Chromatography Rf = 0.56 (hexane/EtOAc, 7:3)
Wiley ID 1857423