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1H-Benzotriazole, 1,6-dimethyl-, 3-oxide
SpectraBase Compound ID EDrZuco4YhN
InChI InChI=1S/C8H9N3O/c1-6-3-4-7-8(5-6)10(2)9-11(7)12/h3-5H,1-2H3
InChIKey NMRQDQSSGMANLE-UHFFFAOYSA-N
Mol Weight 163.18 g/mol
Molecular Formula C8H9N3O
Exact Mass 163.074562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBbvSMjxVlj
Name 1,6-Dimethyl-benzotriazole 3-oxide
CAS Registry Number 57223-14-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H9N3O
InChI InChI=1S/C8H9N3O/c1-6-3-4-7-8(5-6)10(2)9-11(7)12/h3-5H,1-2H3
InChIKey NMRQDQSSGMANLE-UHFFFAOYSA-N
Instrument Name Jeol PS-100
Literature Reference A. Fruchier, J. Elguero, A.F. Hegarty, Org. Magn. Resonance 13, 339 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6