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1-Thia-3,6,8,8b-tetraazaacenaphthylene-6-carboxylic acid, 7-methyl-2-phenyl-, ethyl ester
SpectraBase Compound ID JyrNeU60BAK
InChI InChI=1S/C17H14N4O2S/c1-3-23-16(22)12-9-18-15-13(11-7-5-4-6-8-11)24-17-20-10(2)19-14(12)21(15)17/h4-9H,3H2,1-2H3
InChIKey JOJDVROILQWUQF-UHFFFAOYSA-N
Mol Weight 338.39 g/mol
Molecular Formula C17H14N4O2S
Exact Mass 338.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmcTEsQEa2x
Name 1-Thia-3,6,8,8b-tetraazaacenaphthylene-6-carboxylic acid, 7-methyl-2-phenyl-, ethyl ester
Alternate Name(s) 8-Carboethoxy-2-methyl-5-phenyl-4-thia-1,3,6-triazacycl(3.2.3)azine Ethyl 7-methyl-2-phenyl-1-thia-3,6,8,8b-tetraazaacenaphthylene-5-carboxylate
CAS Registry Number 54867-48-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N4O2S
InChI InChI=1S/C17H14N4O2S/c1-3-23-16(22)12-9-18-15-13(11-7-5-4-6-8-11)24-17-20-10(2)19-14(12)21(15)17/h4-9H,3H2,1-2H3
InChIKey JOJDVROILQWUQF-UHFFFAOYSA-N
Molecular Weight 338.385 g/mol
SMILES C1=2N3C(N=CC2C(=O)OCC)=C(c2ccccc2)SC3=NC(C)=N1
SPLASH splash10-00ri-3789000000-a3e043157f8e3588070b
Source of Spectrum F-30-3661-5
Wiley ID 1333552