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KVQOKCWRUQHGQR-PSQAKQOGSA-N

View entire compound with spectra: 1 NMR

KVQOKCWRUQHGQR-PSQAKQOGSA-N
SpectraBase Compound ID A26wGM3FbQi
InChI InChI=1S/C9H11IN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m0/s1
InChIKey KVQOKCWRUQHGQR-PSQAKQOGSA-N
Mol Weight 354.1 g/mol
Molecular Formula C9H11IN2O5
Exact Mass 353.971266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1p7IFYbbAD5
Name KVQOKCWRUQHGQR-PSQAKQOGSA-N
Compound Number 16A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11IN2O5
InChI InChI=1S/C9H11IN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m0/s1
InChIKey KVQOKCWRUQHGQR-PSQAKQOGSA-N
Literature Reference Author M.J.ROBINS,S.F.WNUK,A.E.HERNANDEZ-THIRRING,M.C.SAMANO
Literature Reference Citation J.AM.CHEM.SOC.,118,11341(1996)
Literature Reference DOI 10.1021/ja962117m
Molecular Weight 354.101 g/mol
Sample ID 54436
Solvent DMSO-D6