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5-ETHOXYCARBONYLMETHYL-1,2,7,11B-TETRAHYDRO-2-PHENYLSULFONYLISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-6(5H)-ONE
SpectraBase Compound ID FHRdZs6uaq1
InChI InChI=1S/C21H22N2O6S/c1-2-28-19(24)12-18-21(25)22-16-11-7-6-10-15(16)17-13-20(29-23(17)18)30(26,27)14-8-4-3-5-9-14/h3-11,17-18,20H,2,12-13H2,1H3,(H,22,25)/t17-,18+,20+/m1/s1
InChIKey BJSQSMICHVFZDI-HBFSDRIKSA-N
Mol Weight 430.48 g/mol
Molecular Formula C21H22N2O6S
Exact Mass 430.119858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QcOtE5Je10
Name 5-ETHOXYCARBONYLMETHYL-1,2,7,11B-TETRAHYDRO-2-PHENYLSULFONYLISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-6(5H)-ONE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O6S
InChI InChI=1S/C21H22N2O6S/c1-2-28-19(24)12-18-21(25)22-16-11-7-6-10-15(16)17-13-20(29-23(17)18)30(26,27)14-8-4-3-5-9-14/h3-11,17-18,20H,2,12-13H2,1H3,(H,22,25)/t17-,18+,20+/m1/s1
InChIKey BJSQSMICHVFZDI-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 430.475 g/mol
Solvent CDCl3
Source File Reference UWGE2515