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5-ETHOXYCARBONYLMETHYL-1,2,7,11B-TETRAHYDRO-8,11-DIMETHYL-2-PHENYLSULFONYLISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-6(5H)-ONE

View entire compound with spectra: 1 NMR

5-ETHOXYCARBONYLMETHYL-1,2,7,11B-TETRAHYDRO-8,11-DIMETHYL-2-PHENYLSULFONYLISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-6(5H)-ONE
SpectraBase Compound ID 3J2i59Puu3S
InChI InChI=1S/C23H26N2O6S/c1-4-30-19(26)12-18-23(27)24-22-15(3)11-10-14(2)21(22)17-13-20(31-25(17)18)32(28,29)16-8-6-5-7-9-16/h5-11,17-18,20H,4,12-13H2,1-3H3,(H,24,27)/t17-,18+,20+/m1/s1
InChIKey JDBZPHVTVIWVSM-HBFSDRIKSA-N
Mol Weight 458.53 g/mol
Molecular Formula C23H26N2O6S
Exact Mass 458.151158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BiNezKasSeB
Name 5-ETHOXYCARBONYLMETHYL-1,2,7,11B-TETRAHYDRO-8,11-DIMETHYL-2-PHENYLSULFONYLISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-6(5H)-ONE
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26N2O6S
InChI InChI=1S/C23H26N2O6S/c1-4-30-19(26)12-18-23(27)24-22-15(3)11-10-14(2)21(22)17-13-20(31-25(17)18)32(28,29)16-8-6-5-7-9-16/h5-11,17-18,20H,4,12-13H2,1-3H3,(H,24,27)/t17-,18+,20+/m1/s1
InChIKey JDBZPHVTVIWVSM-HBFSDRIKSA-N
Literature Reference Author F.HEANEY,S.BOURKE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,955(1998)
Literature Reference DOI 10.1039/a707078k
Molecular Weight 458.529 g/mol
Solvent CDCl3
Source File Reference UWGE2526