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(3R)-2-Methyl-2-(trideuteriomethyl)-3-chlorocyclohexanone
SpectraBase Compound ID 6dwzuz1lO1w
InChI InChI=1S/C8H13ClO/c1-8(2)6(9)4-3-5-7(8)10/h6H,3-5H2,1-2H3/t6-/m1/s1/i1D3/t6-,8?
InChIKey DKMIECZMTDYEQL-YNWAOKDKSA-N
Mol Weight 163.66 g/mol
Molecular Formula C8H10D3ClO
Exact Mass 163.084323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FoSOpu9ntRm
Name (3R)-2-Methyl-2-(trideuteriomethyl)-3-chlorocyclohexanone
CAS Registry Number 97551-95-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10D3ClO
InChI InChI=1S/C8H13ClO/c1-8(2)6(9)4-3-5-7(8)10/h6H,3-5H2,1-2H3/t6-/m1/s1/i1D3/t6-,8?
InChIKey DKMIECZMTDYEQL-YNWAOKDKSA-N
Molecular Weight 163.662 g/mol
SMILES C1(C([C@@](CCC1)(Cl)[H])(C([D])([D])[D])C)=O
SPLASH splash10-000i-9100000000-be54cfe39fc6d0d0df7a
Source of Spectrum J-50-4179-9
Wiley ID 1156692