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3-tert-Butyl-cyclooctanone

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3-tert-Butyl-cyclooctanone
SpectraBase Compound ID 9gvTH7J82JI
InChI InChI=1S/C12H22O/c1-12(2,3)10-7-5-4-6-8-11(13)9-10/h10H,4-9H2,1-3H3
InChIKey YWZJQSOMUYIWLC-UHFFFAOYSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9FBbtt6Z1P8
Name 3-tert-Butyl-cyclooctanone
CAS Registry Number 23804-51-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-12(2,3)10-7-5-4-6-8-11(13)9-10/h10H,4-9H2,1-3H3
InChIKey YWZJQSOMUYIWLC-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference H.J. Schneider, D. Heiske, J. Am. Chem. Soc. 103, 3501 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany