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2-Chloro-4-nitro-N-(1H-1,2,4-triazol-3-yl)benzamide
SpectraBase Compound ID 9I81VwGLDdA
InChI InChI=1S/C9H6ClN5O3/c10-7-3-5(15(17)18)1-2-6(7)8(16)13-9-11-4-12-14-9/h1-4H,(H2,11,12,13,14,16)
InChIKey MBHBFHOMLOIWHW-UHFFFAOYSA-N
Mol Weight 267.63 g/mol
Molecular Formula C9H6ClN5O3
Exact Mass 267.015917 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Mhbh64TLvS
Name 2-Chloro-4-nitro-N-(1H-1,2,4-triazol-3-yl)benzamide
Alternate Name(s) 2-Chloranyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide 2-Chloro-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide Benzamide, 2-chloro-4-nitro-N-(1,2,4-triazol-3-yl)-
CAS Registry Number 311791-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6ClN5O3
InChI InChI=1S/C9H6ClN5O3/c10-7-3-5(15(17)18)1-2-6(7)8(16)13-9-11-4-12-14-9/h1-4H,(H2,11,12,13,14,16)
InChIKey MBHBFHOMLOIWHW-UHFFFAOYSA-N
Molecular Weight 267.632 g/mol
SMILES [nH]1cnc(NC(c2c(cc(N(=O)=O)cc2)Cl)=O)n1
SPLASH splash10-003i-5920000000-0101da1b190de88049d0
Source of Spectrum AD-0-2532-0
Wiley ID 1431632