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Benzonitrile, 2-[2,3,4,5-tetrahydro-6-nitro-4-(3-pyridylmethyl)-1,2,4-triazin-2-yl]-
SpectraBase Compound ID Ia82eepaEC4
InChI InChI=1S/C16H14N6O2/c17-8-14-5-1-2-6-15(14)21-12-20(11-16(19-21)22(23)24)10-13-4-3-7-18-9-13/h1-7,9H,10-12H2
InChIKey HPTKKVWJVXTUIS-UHFFFAOYSA-N
Mol Weight 322.33 g/mol
Molecular Formula C16H14N6O2
Exact Mass 322.117824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kb2PveRMbIu
Name Benzonitrile, 2-[2,3,4,5-tetrahydro-6-nitro-4-(3-pyridylmethyl)-1,2,4-triazin-2-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N6O2
InChI InChI=1S/C16H14N6O2/c17-8-14-5-1-2-6-15(14)21-12-20(11-16(19-21)22(23)24)10-13-4-3-7-18-9-13/h1-7,9H,10-12H2
InChIKey HPTKKVWJVXTUIS-UHFFFAOYSA-N
Molecular Weight 322.328 g/mol
SMILES C(N1CN(N=C(C1)N(=O)=O)c1c(cccc1)C#N)c1cccnc1
SPLASH splash10-002f-9510000000-6e9f1dff0ca5e64e3e92
Synonyms 2-(6-Nitro-4-(3-pyridinylmethyl)-4,5-dihydro-1,2,4-triazin-2(3H)-yl)benzonitrile 2-[6-nitro-4-(3-pyridinylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzonitrile 2-[6-nitro-4-(3-pyridylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzonitrile 2-[6-nitro-4-(pyridin-3-ylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzenecarbonitrile 2-[6-nitro-4-(pyridin-3-ylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzonitrile
Wiley ID 1457482