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2-METHYL-4-ISOPROPYL-4-PHENYL-6-(PHENYLMETHYLENE)-5H-PYRAZOLO-[1,5-D]-[2,4]-BENZOXAZEPINE
SpectraBase Compound ID 99O8GVUnYyM
InChI InChI=1S/C28H26N2O/c1-20(2)28(23-14-8-5-9-15-23)30-26(18-21(3)29-30)24-16-10-11-17-25(24)27(31-28)19-22-12-6-4-7-13-22/h4-20H,1-3H3/b27-19-/t28-/m1/s1
InChIKey YWLJYJLHBCGGFQ-ATWSJQDYSA-N
Mol Weight 406.53 g/mol
Molecular Formula C28H26N2O
Exact Mass 406.204513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7e9Dq4IR0d
Name 2-METHYL-4-ISOPROPYL-4-PHENYL-6-(PHENYLMETHYLENE)-5H-PYRAZOLO-[1,5-D]-[2,4]-BENZOXAZEPINE
Compound Number 9E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H26N2O
InChI InChI=1S/C28H26N2O/c1-20(2)28(23-14-8-5-9-15-23)30-26(18-21(3)29-30)24-16-10-11-17-25(24)27(31-28)19-22-12-6-4-7-13-22/h4-20H,1-3H3/b27-19-/t28-/m1/s1
InChIKey YWLJYJLHBCGGFQ-ATWSJQDYSA-N
Literature Reference Author E.E.SCHWEIZER,Z.CAO,A.L.RHEINGOLD,M.BRUCH
Literature Reference Citation J.ORG.CHEM.,58,4339(1993)
Literature Reference DOI 10.1021/jo00068a032
Molecular Weight 406.527 g/mol
Solvent CDCl3
Source File Reference UWGE2232