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2-CHLORO-7-ETHOXYCARBONYLMETHYL-9A,10,11,12,12A,12B-HEXAHYDRO-11-METHYL-7H,10,12-DIOXOPYRROLO-[3',4':4,5]-ISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-
SpectraBase Compound ID 5DxZHvwvYqF
InChI InChI=1S/C18H18ClN3O6/c1-3-27-12(23)7-11-16(24)20-10-5-4-8(19)6-9(10)14-13-15(28-22(11)14)18(26)21(2)17(13)25/h4-6,11,13-15H,3,7H2,1-2H3,(H,20,24)/t11-,13+,14-,15-/m0/s1
InChIKey GGPJPXITZPPWRG-ATGSNQNLSA-N
Mol Weight 407.81 g/mol
Molecular Formula C18H18ClN3O6
Exact Mass 407.088413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Li2CXoCB9iA
Name 2-CHLORO-7-ETHOXYCARBONYLMETHYL-9A,10,11,12,12A,12B-HEXAHYDRO-11-METHYL-7H,10,12-DIOXOPYRROLO-[3',4':4,5]-ISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18ClN3O6
InChI InChI=1S/C18H18ClN3O6/c1-3-27-12(23)7-11-16(24)20-10-5-4-8(19)6-9(10)14-13-15(28-22(11)14)18(26)21(2)17(13)25/h4-6,11,13-15H,3,7H2,1-2H3,(H,20,24)/t11-,13+,14-,15-/m0/s1
InChIKey GGPJPXITZPPWRG-ATGSNQNLSA-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 407.810 g/mol
Solvent CDCl3
Source File Reference UWGE2510