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4-Nitro-2-[(E)-(1H-1,2,4-triazol-3-ylimino)methyl]phenol
SpectraBase Compound ID 2jXNRBERXPu
InChI InChI=1S/C9H7N5O3/c15-8-2-1-7(14(16)17)3-6(8)4-10-9-11-5-12-13-9/h1-5,15H,(H,11,12,13)/b10-4+
InChIKey QRDYNUKLHKSHGV-ONNFQVAWSA-N
Mol Weight 233.19 g/mol
Molecular Formula C9H7N5O3
Exact Mass 233.054889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gL3JXnHsHt
Name 4-Nitro-2-[(E)-(1H-1,2,4-triazol-3-ylimino)methyl]phenol
Alternate Name(s) Phenol, 4-nitro-2-(1,2,4-triazol-3-yl)iminomethyl-
CAS Registry Number 202118-42-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N5O3
InChI InChI=1S/C9H7N5O3/c15-8-2-1-7(14(16)17)3-6(8)4-10-9-11-5-12-13-9/h1-5,15H,(H,11,12,13)/b10-4+
InChIKey QRDYNUKLHKSHGV-ONNFQVAWSA-N
Molecular Weight 233.187 g/mol
SMILES Oc1ccc(cc1\C=N\c1n[nH]cn1)N(=O)=O
SPLASH splash10-0gbc-9210000000-b1daf70c0e71e1c8fb3a
Source of Spectrum AD-0-2532-0
Wiley ID 1424276