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1-methyl-3-nitro-1H-1,2,4-triazol-5-yl phenyl ether

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1-methyl-3-nitro-1H-1,2,4-triazol-5-yl phenyl ether
SpectraBase Compound ID GeX5EWyuE3P
InChI InChI=1S/C9H8N4O3/c1-12-9(10-8(11-12)13(14)15)16-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey CMCHVGUODVTURB-UHFFFAOYSA-N
Mol Weight 220.19 g/mol
Molecular Formula C9H8N4O3
Exact Mass 220.05964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27u4woepGbx
Name 1-Methyl-3-nitro-1H-1,2,4-triazol-5-yl phenyl ether
Alternate Name(s) 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole 1-Methyl-3-nitro-5-phenoxy-1H-[1,2,4]triazole
CAS Registry Number 21796-24-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N4O3
InChI InChI=1S/C9H8N4O3/c1-12-9(10-8(11-12)13(14)15)16-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey CMCHVGUODVTURB-UHFFFAOYSA-N
Molecular Weight 220.188 g/mol
SMILES c1(nc(Oc2ccccc2)[n](n1)C)N(=O)=O
SPLASH splash10-00tf-9210000000-9b6841d29676eeaf0bc4
Wiley ID 1460964