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cis-2-(Benzotriazol-1-yl-methyl)-5-methyl-2,3,3a,6a-tetrahydro-pyrrolo(3,4-D)isoxazole-4,6-dione
SpectraBase Compound ID 8jSK0ISLRYh
InChI InChI=1S/C13H13N5O3/c1-16-12(19)8-6-17(21-11(8)13(16)20)7-18-10-5-3-2-4-9(10)14-15-18/h2-5,8,11H,6-7H2,1H3
InChIKey XFZPXBNDHCNNGD-UHFFFAOYSA-N
Mol Weight 287.28 g/mol
Molecular Formula C13H13N5O3
Exact Mass 287.101839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JwPTuOBB7gQ
Name cis-2-(Benzotriazol-1-yl-methyl)-5-methyl-2,3,3a,6a-tetrahydro-pyrrolo(3,4-D)isoxazole-4,6-dione
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Formula C13H13N5O3
InChI InChI=1S/C13H13N5O3/c1-16-12(19)8-6-17(21-11(8)13(16)20)7-18-10-5-3-2-4-9(10)14-15-18/h2-5,8,11H,6-7H2,1H3
InChIKey XFZPXBNDHCNNGD-UHFFFAOYSA-N
Instrument Name Varian XL-300
Literature Reference A.R. Katritzky, G.J. Hitchings, X.Zhao, J. Chem. Soc. Perkin I 2371 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3