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1H-Benzotriazole, 1,5-dimethyl-, 3-oxide
SpectraBase Compound ID Fhf1DSvRrth
InChI InChI=1S/C8H9N3O/c1-6-3-4-7-8(5-6)11(12)9-10(7)2/h3-5H,1-2H3
InChIKey IHGWPISXOLOBMG-UHFFFAOYSA-N
Mol Weight 163.18 g/mol
Molecular Formula C8H9N3O
Exact Mass 163.074562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9j2JEiQumfc
Name 1H-Benzotriazole, 1,5-dimethyl-, 3-oxide
CAS Registry Number 57223-15-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9N3O
InChI InChI=1S/C8H9N3O/c1-6-3-4-7-8(5-6)11(12)9-10(7)2/h3-5H,1-2H3
InChIKey IHGWPISXOLOBMG-UHFFFAOYSA-N
Molecular Weight 163.180 g/mol
SMILES C[n]1n[n+](c2c1ccc(c2)C)[O-]
SPLASH splash10-03xr-9500000000-0b7316ca3f8357623986
Source of Spectrum AC-74-3054-33
Synonyms 1,5-Dimethyl-1H-1,2,3-benzotriazole 3-oxide 3,6-Dimethylbenzotriazole N-oxide 1,5-Dimethyl-3-oxidobenzotriazol-3-ium 1,5-Dimethyl-3-oxidanidyl-benzotriazol-3-ium
Wiley ID 1159382