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3-Oxabicyclo[3.1.0]hexan-2-one, 1-chloro-5-methyl-6-phenyl-, (1.alpha.,5.alpha.,6.alpha.)-
SpectraBase Compound ID D3dN72dRRmZ
InChI InChI=1S/C12H11ClO2/c1-11-7-15-10(14)12(11,13)9(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-,11-,12+/m0/s1
InChIKey MSYKKNAZXYXZRL-ZMLRMANQSA-N
Mol Weight 222.67 g/mol
Molecular Formula C12H11ClO2
Exact Mass 222.044757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AmjXPa7Vux
Name 3-Oxabicyclo[3.1.0]hexan-2-one, 1-chloro-5-methyl-6-phenyl-, (1.alpha.,5.alpha.,6.alpha.)-
Alternate Name(s) (1S,5R,6S)-1-chloro-5-methyl-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one 1-Chloro-2c-hydroxymethyl-2t-methyl-3t-phenyl-1R-cyclopropancarboxylic acid-lactone
CAS Registry Number 77301-67-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClO2
InChI InChI=1S/C12H11ClO2/c1-11-7-15-10(14)12(11,13)9(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-,11-,12+/m0/s1
InChIKey MSYKKNAZXYXZRL-ZMLRMANQSA-N
Molecular Weight 222.671 g/mol
SMILES [C@]12([C@@](C(=O)OC2)(Cl)[C@]1(c1ccccc1)[H])C
SPLASH splash10-000i-0900000000-5a7a8a78939a7ca9a394
Source of Spectrum K-114-753-0
Wiley ID 1222101