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Cyclohexanone-2,2,6,6-D4, 4-butyl-
SpectraBase Compound ID 4aul55dn3Tf
InChI InChI=1S/C10H18O/c1-2-3-4-9-5-7-10(11)8-6-9/h9H,2-8H2,1H3/i7D2,8D2
InChIKey CKUNTDNDGXPOPB-OSEHSPPNSA-N
Mol Weight 158.28 g/mol
Molecular Formula C10H14D4O
Exact Mass 158.160872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H30fP0eapjL
Name Cyclohexanone-2,2,6,6-D4, 4-butyl-
CAS Registry Number 126279-23-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14D4O
InChI InChI=1S/C10H18O/c1-2-3-4-9-5-7-10(11)8-6-9/h9H,2-8H2,1H3/i7D2,8D2
InChIKey CKUNTDNDGXPOPB-OSEHSPPNSA-N
Molecular Weight 158.277 g/mol
SMILES C1(=O)C(CC(CC1([D])[D])CCCC)([D])[D]
SPLASH splash10-0f89-9700000000-badd85ed9908adf721bc
Source of Spectrum O-24-775-4
Synonyms 2,2,6,6-Tetradeuterio-4-n-butylcyclohexanone 4-Butylcyclohexanone-2,2,6,6-D4
Wiley ID 1152399