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1-Thia-3,5,8,8b-tetraazaacenaphthylene-6-carboxylic acid, 2-phenyl-, ethyl ester
SpectraBase Compound ID 6EltKOwl10Q
InChI InChI=1S/C16H12N4O2S/c1-2-22-15(21)11-8-17-16-20-13(11)18-9-19-14(20)12(23-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey FAKULGINUAZWHI-UHFFFAOYSA-N
Mol Weight 324.36 g/mol
Molecular Formula C16H12N4O2S
Exact Mass 324.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcGzakx5F8z
Name 1-Thia-3,5,8,8b-tetraazaacenaphthylene-6-carboxylic acid, 2-phenyl-, ethyl ester
CAS Registry Number 54867-49-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N4O2S
InChI InChI=1S/C16H12N4O2S/c1-2-22-15(21)11-8-17-16-20-13(11)18-9-19-14(20)12(23-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey FAKULGINUAZWHI-UHFFFAOYSA-N
Molecular Weight 324.358 g/mol
SMILES C1=2N3C(SC2c2ccccc2)=NC=C(C3=NC=N1)C(=O)OCC
SPLASH splash10-0fk9-1598000000-04fdff3d6099475f568c
Source of Spectrum F-30-3661-1
Synonyms 8-Carboethoxy-4-phenyl-5-thia-1,3,6-triazacycl(3.2.3)azine Ethyl 2-phenyl-1-thia-3,5,8,8b-tetraazaacenaphthylene-6-carboxylate
Wiley ID 1322972