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3,3-DIMETHYL-2-(4'-METHOXYPHENYL)-4-(4''-NITROPHENYL)-ENDO-TRICYCLO-[3.3.0.0(2,4)]-OCT-6-ENE
SpectraBase Compound ID 66iKeezJfyh
InChI InChI=1S/C23H23NO3/c1-21(2)22(15-7-11-17(12-8-15)24(25)26)19-5-4-6-20(19)23(21,22)16-9-13-18(27-3)14-10-16/h4-5,7-14,19-20H,6H2,1-3H3/t19-,20+,22+,23+/m1/s1
InChIKey HBMIYHGYGFRIOP-VAPSRWTKSA-N
Mol Weight 361.44 g/mol
Molecular Formula C23H23NO3
Exact Mass 361.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ACVFJSoDDhL
Name 3,3-DIMETHYL-2-(4'-METHOXYPHENYL)-4-(4''-NITROPHENYL)-ENDO-TRICYCLO-[3.3.0.0(2,4)]-OCT-6-ENE
Compound Number 8I-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23NO3
InChI InChI=1S/C23H23NO3/c1-21(2)22(15-7-11-17(12-8-15)24(25)26)19-5-4-6-20(19)23(21,22)16-9-13-18(27-3)14-10-16/h4-5,7-14,19-20H,6H2,1-3H3/t19-,20+,22+,23+/m1/s1
InChIKey HBMIYHGYGFRIOP-VAPSRWTKSA-N
Literature Reference Author W.ADAM,H.M.HARRER,W.M.NAU,K.PETERS
Literature Reference Citation J.ORG.CHEM.,59,3786(1994)
Literature Reference DOI 10.1021/jo00093a010
Molecular Weight 361.441 g/mol
Solvent CDCl3
Source File Reference UWCP6936