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1-ACETYL-5-ETHOXYCARBONYL-METHYL-1,2,7,11B-TETRAHYDROISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-6(5H)-ONE
SpectraBase Compound ID Av73oXnqZHW
InChI InChI=1S/C17H20N2O5/c1-3-23-15(21)8-14-17(22)18-13-7-5-4-6-11(13)16-12(10(2)20)9-24-19(14)16/h4-7,12,14,16H,3,8-9H2,1-2H3,(H,18,22)/t12-,14+,16+/m1/s1
InChIKey JCVDYDVPJFRVGV-INWMFGNUSA-N
Mol Weight 332.36 g/mol
Molecular Formula C17H20N2O5
Exact Mass 332.137222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4abAqGzyDjB
Name 1-ACETYL-5-ETHOXYCARBONYL-METHYL-1,2,7,11B-TETRAHYDROISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-6(5H)-ONE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20N2O5
InChI InChI=1S/C17H20N2O5/c1-3-23-15(21)8-14-17(22)18-13-7-5-4-6-11(13)16-12(10(2)20)9-24-19(14)16/h4-7,12,14,16H,3,8-9H2,1-2H3,(H,18,22)/t12-,14+,16+/m1/s1
InChIKey JCVDYDVPJFRVGV-INWMFGNUSA-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 332.356 g/mol
Solvent CDCl3
Source File Reference UWGE2521