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2,2,5-TRIMETHYL-4-HEXEN-[3-(13)C]-3-ONE

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2,2,5-TRIMETHYL-4-HEXEN-[3-(13)C]-3-ONE
SpectraBase Compound ID CndWFiOJhSD
InChI InChI=1S/C9H16O/c1-7(2)6-8(10)9(3,4)5/h6H,1-5H3/i8+1
InChIKey OAGTWOAEPNSOJA-VJJZLTLGSA-N
Mol Weight 141.22 g/mol
Molecular Formula C813CH16O
Exact Mass 141.12347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GYaOjFp4xqa
Name 2,2,5-TRIMETHYL-4-HEXEN-[3-(13)C]-3-ONE
Compound Number [3- (13)C]-17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C813CH16O
InChI InChI=1S/C9H16O/c1-7(2)6-8(10)9(3,4)5/h6H,1-5H3/i8+1
InChIKey OAGTWOAEPNSOJA-VJJZLTLGSA-N
Literature Reference Author A.S.VELLEKOOP,R.A.J.SMITH
Literature Reference Citation J.AM.CHEM.SOC.,116,2902(1994)
Literature Reference DOI 10.1021/ja00086a023
Molecular Weight 141.218 g/mol
Solvent CDCl3