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Tetracyclo(4.2.0.0/2,4/.0/3,6/)octan-7-ol mesylate
SpectraBase Compound ID 75O016qfDOx
InChI InChI=1S/C9H12O3S/c1-13(10,11)12-4-2-3-5(4)7-8-6(3)9(7)8/h3-9H,2H2,1H3
InChIKey PPEVLHFMVPCZQY-UHFFFAOYSA-N
Mol Weight 200.25 g/mol
Molecular Formula C9H12O3S
Exact Mass 200.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6xjQcRmZzP
Name Tetracyclo(4.2.0.0/2,4/.0/3,6/)octan-7-ol mesylate
CAS Registry Number 61076-13-9
Comments C4 SYN, C3 ANTI
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12O3S
InChI InChI=1S/C9H12O3S/c1-13(10,11)12-4-2-3-5(4)7-8-6(3)9(7)8/h3-9H,2H2,1H3
InChIKey PPEVLHFMVPCZQY-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference L.R. Smith, G.E. Gream, J. Meinwald, J. Org. Chem. 42, 927 (1977).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3