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2-Butanone-1,1,1,3,3-D5, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
SpectraBase Compound ID BZbvuGNBYVA
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3/i2D3,7D2
InChIKey JHJCHCSUEGPIGE-RCIWAKOPSA-N
Mol Weight 199.35 g/mol
Molecular Formula C13H172D5O
Exact Mass 199.198449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6oDxN9mUOF
Name 2-Butanone-1,1,1,3,3-D5, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
CAS Registry Number 60771-28-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17D5O
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3/i2D3,7D2
InChIKey JHJCHCSUEGPIGE-RCIWAKOPSA-N
Molecular Weight 199.349 g/mol
SMILES C1(C(=CCCC1(C)C)C)CC(C(=O)C([2D])([2D])[2D])([2D])[2D]
SPLASH splash10-0072-9700000000-233b58b6c6e27855bb84
Source of Spectrum H-59-72-37
Synonyms Dihydro-.alpha.-ionone-D5
Wiley ID 1191565