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(3R,5R)-3,5-bis(chloranyl)-7,7-dimethyl-oxocan-2-one
SpectraBase Compound ID ALXcQk0N5DJ
InChI InChI=1S/C9H14Cl2O2/c1-9(2)4-6(10)3-7(11)8(12)13-5-9/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKey QORGIZVQZGUSBF-NKWVEPMBSA-N
Mol Weight 225.11 g/mol
Molecular Formula C9H14Cl2O2
Exact Mass 224.037085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZoIOu0MyW
Name (3R,5R)-3,5-bis(chloranyl)-7,7-dimethyl-oxocan-2-one
Alternate Name(s) (3R,5R)-3,5-dichloro-7,7-dimethyl-2-oxocanone (3R,5R)-3,5-dichloro-7,7-dimethyl-oxocan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14Cl2O2
InChI InChI=1S/C9H14Cl2O2/c1-9(2)4-6(10)3-7(11)8(12)13-5-9/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKey QORGIZVQZGUSBF-NKWVEPMBSA-N
Molecular Weight 225.115 g/mol
SMILES C1(OCC(C)(C)C[C@](C[C@]1(Cl)[H])(Cl)[H])=O
SPLASH splash10-0f7d-9710000000-8ab2153bff9cf0414b82
Source of Spectrum F-50-12437-44
Wiley ID 789779