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6-nitro-1,2-benzisoxazole-3-carboxylic acid, methyl ester
SpectraBase Compound ID BuKURVCcJ4s
InChI InChI=1S/C9H6N2O5/c1-15-9(12)8-6-3-2-5(11(13)14)4-7(6)16-10-8/h2-4H,1H3
InChIKey RDAMDINPNCIMJD-UHFFFAOYSA-N
Mol Weight 222.16 g/mol
Molecular Formula C9H6N2O5
Exact Mass 222.027671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1tAvTQ4Wgel
Name 6-Nitro-3-carbomethoxy-1,2-benzisoxazole
CAS Registry Number 5453-86-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H6N2O5
InChI InChI=1S/C9H6N2O5/c1-15-9(12)8-6-3-2-5(11(13)14)4-7(6)16-10-8/h2-4H,1H3
InChIKey RDAMDINPNCIMJD-UHFFFAOYSA-N
Instrument Name Varian CFT-20
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/DMSO-D6