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1,8-CYCLOHEXADECANEDIONE
SpectraBase Compound ID 2dlSJSc7jiM
InChI InChI=1S/C16H28O2/c17-15-11-7-3-1-2-4-8-12-16(18)14-10-6-5-9-13-15/h1-14H2
InChIKey SSRUWICMOKOXLR-UHFFFAOYSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98g8g9Nt1RC
Name 1,8-CYCLOHEXADECANEDIONE
Compound Number 1J
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H28O2
InChI InChI=1S/C16H28O2/c17-15-11-7-3-1-2-4-8-12-16(18)14-10-6-5-9-13-15/h1-14H2
InChIKey SSRUWICMOKOXLR-UHFFFAOYSA-N
Literature Reference Author A.D.GUDMUNDSDOTTIR,T.J.LEWIS,L.H.RANDALL,J.R.SCHEFFER,S.J.RE TTIG,J.TROTTER,C.H.W
Literature Reference Citation J.AM.CHEM.SOC.,118,6167(1996)
Literature Reference DOI 10.1021/ja953420a
Molecular Weight 252.397 g/mol
Sample ID 31401
Solvent CDCl3