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5-Nitro-4-(4-chlorophenylamino)-2-methyl-6-(1H-tetrazol-5-yl)pyrimidine

View entire compound with spectra: 1 MS (GC)

5-Nitro-4-(4-chlorophenylamino)-2-methyl-6-(1H-tetrazol-5-yl)pyrimidine
SpectraBase Compound ID C1UJ0O39mkY
InChI InChI=1S/C12H9ClN8O2/c1-6-14-9(11-17-19-20-18-11)10(21(22)23)12(15-6)16-8-4-2-7(13)3-5-8/h2-5H,1H3,(H,14,15,16)(H,17,18,19,20)
InChIKey IBWBIUNBFSFMRJ-UHFFFAOYSA-N
Mol Weight 332.71 g/mol
Molecular Formula C12H9ClN8O2
Exact Mass 332.053699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wFQMq3KKRh
Name 5-Nitro-4-(4-chlorophenylamino)-2-methyl-6-(1H-tetrazol-5-yl)pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9ClN8O2
InChI InChI=1S/C12H9ClN8O2/c1-6-14-9(11-17-19-20-18-11)10(21(22)23)12(15-6)16-8-4-2-7(13)3-5-8/h2-5H,1H3,(H,14,15,16)(H,17,18,19,20)
InChIKey IBWBIUNBFSFMRJ-UHFFFAOYSA-N
Molecular Weight 332.711 g/mol
SMILES N(c1c(c(-c2nnn[nH]2)nc(n1)C)N(=O)=O)c1ccc(cc1)Cl
SPLASH splash10-004i-9020000000-498538d73a49d90d1c33
Source of Spectrum F4-40-309-14
Wiley ID 1670181