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1-(Benzotriazol-1-yl)-butane-1,3-dione
SpectraBase Compound ID DCbBBmkfQFd
InChI InChI=1S/C10H9N3O2/c1-7(14)6-10(15)13-9-5-3-2-4-8(9)11-12-13/h2-5H,6H2,1H3
InChIKey OVCSCTWNUIJLJH-UHFFFAOYSA-N
Mol Weight 203.2 g/mol
Molecular Formula C10H9N3O2
Exact Mass 203.069477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 93yrMUcSe5U
Name 1-(Benzotriazol-1-yl)-butane-1,3-dione
CAS Registry Number 129995-50-2
Comments TAUTOMER 1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H9N3O2
InChI InChI=1S/C10H9N3O2/c1-7(14)6-10(15)13-9-5-3-2-4-8(9)11-12-13/h2-5H,6H2,1H3
InChIKey OVCSCTWNUIJLJH-UHFFFAOYSA-N
Instrument Name Varian XL-300
Literature Reference A.R. Katritzky, S. Rachwal, B. Rachwal, J. Chem. Soc. Perkin I 1717 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3