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Benzonitrile, 2-[2,3,4,5-tetrahydro-6-nitro-4-(2-phenylethyl)-1,2,4-triazin-2-yl]-
SpectraBase Compound ID DZor9DZyXaH
InChI InChI=1S/C18H17N5O2/c19-12-16-8-4-5-9-17(16)22-14-21(13-18(20-22)23(24)25)11-10-15-6-2-1-3-7-15/h1-9H,10-11,13-14H2
InChIKey UQKTVVWTGJXAJC-UHFFFAOYSA-N
Mol Weight 335.37 g/mol
Molecular Formula C18H17N5O2
Exact Mass 335.138225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJd9555Na3S
Name Benzonitrile, 2-[2,3,4,5-tetrahydro-6-nitro-4-(2-phenylethyl)-1,2,4-triazin-2-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N5O2
InChI InChI=1S/C18H17N5O2/c19-12-16-8-4-5-9-17(16)22-14-21(13-18(20-22)23(24)25)11-10-15-6-2-1-3-7-15/h1-9H,10-11,13-14H2
InChIKey UQKTVVWTGJXAJC-UHFFFAOYSA-N
Molecular Weight 335.367 g/mol
SMILES c1ccc(cc1)CCN1CN(N=C(C1)N(=O)=O)c1c(cccc1)C#N
SPLASH splash10-0pdi-4910000000-217417de1abfddfe03f1
Synonyms 2-(6-Nitro-4-(2-phenylethyl)-4,5-dihydro-1,2,4-triazin-2(3H)-yl)benzonitrile 2-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzonitrile 2-[6-nitro-4-(2-phenylethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzonitrile
Wiley ID 1457457