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Cyclohexanecarboxylic acid, 1,5-dichloro-2-oxo-, methyl ester, trans-(.+-.)-
SpectraBase Compound ID LMBMBgpHYfp
InChI InChI=1S/C8H10Cl2O3/c1-13-7(12)8(10)4-5(9)2-3-6(8)11/h5H,2-4H2,1H3/t5-,8+/m1/s1
InChIKey SIJCUWBMPVITJJ-XRGYYRRGSA-N
Mol Weight 225.07 g/mol
Molecular Formula C8H10Cl2O3
Exact Mass 224.0007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEnwAGCqhtJ
Name Cyclohexanecarboxylic acid, 1,5-dichloro-2-oxo-, methyl ester, trans-(.+-.)-
CAS Registry Number 115140-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10Cl2O3
InChI InChI=1S/C8H10Cl2O3/c1-13-7(12)8(10)4-5(9)2-3-6(8)11/h5H,2-4H2,1H3/t5-,8+/m1/s1
InChIKey SIJCUWBMPVITJJ-XRGYYRRGSA-N
Molecular Weight 225.071 g/mol
SMILES [C@@]1(C(=O)OC)(C(=O)CC[C@](C1)(Cl)[H])Cl
SPLASH splash10-0a4i-9220000000-8b6a3498a3b68932d24d
Source of Spectrum C-110-5542-48
Synonyms 1-(methoxycarbonyl)-trans-1,3-dichloro-cyclohexa-6-one Methyl (1S,5R)-1,5-dichloro-2-oxocyclohexanecarboxylate trans-1,3-dichloro-1-methoxycarbonyl-cyclohexa-6-one
Wiley ID 1224467