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5-ETHOXYCARBONYLMETHYL-1,2,7,11B-TETRAHYDRO-11-METHYL-1-PHENYLSULFONYLISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-6(5H)-ONE
SpectraBase Compound ID 9V5Z2pd5qek
InChI InChI=1S/C22H24N2O6S/c1-3-29-19(25)12-17-22(26)23-16-11-7-8-14(2)20(16)21-18(13-30-24(17)21)31(27,28)15-9-5-4-6-10-15/h4-11,17-18,21H,3,12-13H2,1-2H3,(H,23,26)/t17-,18-,21+/m0/s1
InChIKey JFMFXOWIZMTKJN-BBTUJRGHSA-N
Mol Weight 444.5 g/mol
Molecular Formula C22H24N2O6S
Exact Mass 444.135508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BdgSM5nUGuh
Name 5-ETHOXYCARBONYLMETHYL-1,2,7,11B-TETRAHYDRO-11-METHYL-1-PHENYLSULFONYLISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-6(5H)-ONE
Compound Number 15C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24N2O6S
InChI InChI=1S/C22H24N2O6S/c1-3-29-19(25)12-17-22(26)23-16-11-7-8-14(2)20(16)21-18(13-30-24(17)21)31(27,28)15-9-5-4-6-10-15/h4-11,17-18,21H,3,12-13H2,1-2H3,(H,23,26)/t17-,18-,21+/m0/s1
InChIKey JFMFXOWIZMTKJN-BBTUJRGHSA-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 444.502 g/mol
Solvent CDCl3
Source File Reference UWGE2527