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1,5-IMINO-4-EXO-METHYL-3-OXA-5-PHENYLCYClOHEPTAN-2-ONE-6,7-EXO-N-PHENYLDICARBOXIMIDE
SpectraBase Compound ID BiOHUSJRTO6
InChI InChI=1S/C21H18N2O4/c1-12-21(13-8-4-2-5-9-13)16-15(17(22-21)20(26)27-12)18(24)23(19(16)25)14-10-6-3-7-11-14/h2-12,15-17,22H,1H3/t12?,15-,16-,17+,21-/m1/s1
InChIKey UZZQZQHVDMLUDS-ZFYOMEARSA-N
Mol Weight 362.39 g/mol
Molecular Formula C21H18N2O4
Exact Mass 362.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5owk3fBmgfR
Name 1,5-IMINO-4-EXO-METHYL-3-OXA-5-PHENYLCYClOHEPTAN-2-ONE-6,7-EXO-N-PHENYLDICARBOXIMIDE
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N2O4
InChI InChI=1S/C21H18N2O4/c1-12-21(13-8-4-2-5-9-13)16-15(17(22-21)20(26)27-12)18(24)23(19(16)25)14-10-6-3-7-11-14/h2-12,15-17,22H,1H3/t12?,15-,16-,17+,21-/m1/s1
InChIKey UZZQZQHVDMLUDS-ZFYOMEARSA-N
Literature Reference Author K.MONNIER,G.SCHMITT,B.LAUDE,M.F.MERCIER,M.M.KUBICKI,M.JANNIN
Literature Reference Citation CAN.J.CHEM.,73,181(1995)
Literature Reference DOI 10.1139/v95-027
Molecular Weight 362.385 g/mol
Solvent DMSO-D6
Source File Reference UWCS15487