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4-Azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione, 4-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]-
SpectraBase Compound ID 5B2wJdjSzaI
InChI InChI=1S/C19H18N4O2/c24-17-15-12-7-8-13(10-12)16(15)18(25)23(17)19-20-14(21-22-19)9-6-11-4-2-1-3-5-11/h1-5,7-8,12-13,15-16H,6,9-10H2,(H,20,21,22)/t12-,13+,15-,16+
InChIKey DQHOZROFUZRKCF-SDSIWUNFSA-N
Mol Weight 334.38 g/mol
Molecular Formula C19H18N4O2
Exact Mass 334.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eN61R9k4uG
Name 4-Azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione, 4-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N4O2
InChI InChI=1S/C19H18N4O2/c24-17-15-12-7-8-13(10-12)16(15)18(25)23(17)19-20-14(21-22-19)9-6-11-4-2-1-3-5-11/h1-5,7-8,12-13,15-16H,6,9-10H2,(H,20,21,22)/t12-,13+,15-,16+
InChIKey DQHOZROFUZRKCF-SDSIWUNFSA-N
Molecular Weight 334.379 g/mol
SMILES [nH]1nc(nc1N1C(=O)[C@]2([C@@](C1=O)([C@]1(C=C[C@@]2(C1)[H])[H])[H])[H])CCc1ccccc1
SPLASH splash10-014l-9341000000-11dd1914dd0384eb5652
Wiley ID 1449848