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Ethyl 1-methyl-1H-5-thia-1,3,6-triazaacephenanthrylene-4-carbxylate
SpectraBase Compound ID KetWm3QUP03
InChI InChI=1S/C16H13N3O2S/c1-3-21-16(20)14-12-11-13(19(2)8-17-12)9-6-4-5-7-10(9)18-15(11)22-14/h4-8H,3H2,1-2H3
InChIKey HAOKKESLOSDYSV-UHFFFAOYSA-N
Mol Weight 311.36 g/mol
Molecular Formula C16H13N3O2S
Exact Mass 311.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcA7UhDFkMu
Name Ethyl 1-methyl-1H-5-thia-1,3,6-triazaacephenanthrylene-4-carbxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O2S
InChI InChI=1S/C16H13N3O2S/c1-3-21-16(20)14-12-11-13(19(2)8-17-12)9-6-4-5-7-10(9)18-15(11)22-14/h4-8H,3H2,1-2H3
InChIKey HAOKKESLOSDYSV-UHFFFAOYSA-N
Molecular Weight 311.359 g/mol
SMILES c12c3c(nc4c(c3N(C=N1)C)cccc4)sc2C(=O)OCC
SPLASH splash10-03di-2089000000-f21804379cd1cae2a1d6
Source of Spectrum SO-0-101-9
Wiley ID 864060