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5-ETHOXYCARBONYLMETHYL-1,2,7,11B-TETRAHYDRO-7-METHYL-2-PHENYLSULFONYLISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-6(5H)-ONE
SpectraBase Compound ID 5bsdu84d0dj
InChI InChI=1S/C22H24N2O6S/c1-3-29-20(25)13-19-22(26)23(2)17-12-8-7-11-16(17)18-14-21(30-24(18)19)31(27,28)15-9-5-4-6-10-15/h4-12,18-19,21H,3,13-14H2,1-2H3/t18-,19+,21+/m1/s1
InChIKey ASNHGSSCYIZRRU-DYXWJJEUSA-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 DkvSlHqlKkL
Name 5-ETHOXYCARBONYLMETHYL-1,2,7,11B-TETRAHYDRO-7-METHYL-2-PHENYLSULFONYLISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-6(5H)-ONE
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24N2O6S
InChI InChI=1S/C22H24N2O6S/c1-3-29-20(25)13-19-22(26)23(2)17-12-8-7-11-16(17)18-14-21(30-24(18)19)31(27,28)15-9-5-4-6-10-15/h4-12,18-19,21H,3,13-14H2,1-2H3/t18-,19+,21+/m1/s1
InChIKey ASNHGSSCYIZRRU-DYXWJJEUSA-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 UWGE2524