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4-Methyl-5-phenylsulfonyl-tetracyclo(6.2.1.1/4,7/.0/2,7/)dodec-2-ene
SpectraBase Compound ID AU4Ss70H7rS
InChI InChI=1S/C19H22O2S/c1-18-10-16-13-7-8-14(9-13)19(16,12-18)11-17(18)22(20,21)15-5-3-2-4-6-15/h2-6,10,13-14,17H,7-9,11-12H2,1H3/t13-,14+,17-,18+,19+/m0/s1
InChIKey ZUBUQRHGRFRIDN-HLULTAIVSA-N
Mol Weight 314.44 g/mol
Molecular Formula C19H22O2S
Exact Mass 314.134051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ivt18kMo2uT
Name 4-Methyl-5-phenylsulfonyl-tetracyclo(6.2.1.1/4,7/.0/2,7/)dodec-2-ene
CAS Registry Number 83151-98-8
Comments PHENYLSULFONYL GROUP POSSIBLY ON C6 INSTEAD OF C5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H22O2S
InChI InChI=1S/C19H22O2S/c1-18-10-16-13-7-8-14(9-13)19(16,12-18)11-17(18)22(20,21)15-5-3-2-4-6-15/h2-6,10,13-14,17H,7-9,11-12H2,1H3/t13-,14+,17-,18+,19+/m0/s1
InChIKey ZUBUQRHGRFRIDN-HLULTAIVSA-N
Instrument Name Bruker WP-80
Literature Reference L.A. Paquette, P.C. Hayes, P. Charumilind, J. Am. Chem. Soc. 105, 3148 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3