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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 8CIEU0KKptQ
Name 1,6-DIMETHYL-1H-BENZOTRIAZOLE, 3-OXIDE
Source of Sample A. Fruchier, J. Elguero, A. F. Hegarty Org. Magn. Resonance 13, 339(1980)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 163.18
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Jeol PS-100
Synonyms 1H-BENZOTRIAZOLE, 1,6-DIMETHYL-, 3-OXIDE