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4-Azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione, 4-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]-
SpectraBase Compound ID 96ACpyFpBZR
InChI InChI=1S/C16H13N5O2/c22-14-11-8-3-4-9(6-8)12(11)15(23)21(14)16-18-13(19-20-16)10-2-1-5-17-7-10/h1-5,7-9,11-12H,6H2,(H,18,19,20)/t8-,9+,11-,12+
InChIKey XSXBBGJSUKCCMS-SKWLPYGWSA-N
Mol Weight 307.31 g/mol
Molecular Formula C16H13N5O2
Exact Mass 307.106925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gBLg1Ea0un
Name 4-Azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione, 4-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N5O2
InChI InChI=1S/C16H13N5O2/c22-14-11-8-3-4-9(6-8)12(11)15(23)21(14)16-18-13(19-20-16)10-2-1-5-17-7-10/h1-5,7-9,11-12H,6H2,(H,18,19,20)/t8-,9+,11-,12+
InChIKey XSXBBGJSUKCCMS-SKWLPYGWSA-N
Molecular Weight 307.313 g/mol
SMILES [nH]1nc(nc1N1C(=O)[C@]2([C@@](C1=O)([C@]1(C=C[C@@]2(C1)[H])[H])[H])[H])-c1cccnc1
SPLASH splash10-0006-9383000000-a0d6236c6f397c0eaf21
Wiley ID 1449849