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anti, syn-10,10'-Bis(5,6,7,8-tetrahydro-2-phenyl-5,8-methano-(1H)-(1,2,4)-triazolo(1,2-A)pyridazine-1,3(2H)-dione)
SpectraBase Compound ID GdxxgWg9PvX
InChI InChI=1S/C26H24N6O4/c33-23-27(15-7-3-1-4-8-15)24(34)30-18-12-11-17(29(23)30)21(18)22-19-13-14-20(22)32-26(36)28(25(35)31(19)32)16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18+,19-,20+,21+,22+
InChIKey ZKURPLYLDDIYRL-JPASJIPYSA-N
Mol Weight 484.52 g/mol
Molecular Formula C26H24N6O4
Exact Mass 484.185903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FcNk4xmVWHF
Name anti, syn-10,10'-Bis(5,6,7,8-tetrahydro-2-phenyl-5,8-methano-(1H)-(1,2,4)-triazolo(1,2-A)pyridazine-1,3(2H)-dione)
CAS Registry Number 108868-13-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H24N6O4
InChI InChI=1S/C26H24N6O4/c33-23-27(15-7-3-1-4-8-15)24(34)30-18-12-11-17(29(23)30)21(18)22-19-13-14-20(22)32-26(36)28(25(35)31(19)32)16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18+,19-,20+,21+,22+
InChIKey ZKURPLYLDDIYRL-JPASJIPYSA-N
Instrument Name Bruker WH-400
Literature Reference W. Adam, K. Hannemann, E.M. Peters, J. Am. Chem. Soc. 109, 5250 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3