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3-METHYL-1,2,3-BENZOTRIAZIN-4-ONE
SpectraBase Compound ID ENjVa2NSqcU
InChI InChI=1S/C8H7N3O/c1-11-8(12)6-4-2-3-5-7(6)9-10-11/h2-5H,1H3
InChIKey AULPOPGFJIOHMZ-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C8H7N3O
Exact Mass 161.058912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9NehBxqPEKc
Name 1,2,3-Benzotriazin-4(3H)-one, 3-methyl-
Alternate Name(s) 3-Methyl-1,2,3-benzotriazin-4(3H)-one 3-Methyl-1,2,3-benzotriazin-4-one 3-Methyl-benzotriazin-4-one 3-Methylbenzotriazinone NSC 125609
CAS Registry Number 22305-44-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N3O
InChI InChI=1S/C8H7N3O/c1-11-8(12)6-4-2-3-5-7(6)9-10-11/h2-5H,1H3
InChIKey AULPOPGFJIOHMZ-UHFFFAOYSA-N
Molecular Weight 161.164 g/mol
SMILES C1(=O)c2c(N=NN1C)cccc2
SPLASH splash10-0h00-9700000000-8e3d435d77086698e825
Source of Spectrum O-19-641-1
Wiley ID 1157623