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Ethyl 5-butyl-1-thia-3,4,5,6-tetraazaaceanthrylene-2-carboxylate
SpectraBase Compound ID KJMvXO8T8IC
InChI InChI=1S/C18H18N4O2S/c1-3-5-10-22-17-13-14(20-21-22)16(18(23)24-4-2)25-15(13)11-8-6-7-9-12(11)19-17/h6-9H,3-5,10H2,1-2H3
InChIKey FFNWFDHMWWPGMJ-UHFFFAOYSA-N
Mol Weight 354.43 g/mol
Molecular Formula C18H18N4O2S
Exact Mass 354.115047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1x2FyJTgO2H
Name Ethyl 5-butyl-1-thia-3,4,5,6-tetraazaaceanthrylene-2-carboxylate
Alternate Name(s) Ethyl 5-butyl-5H-1-thia-3,4,5,6-tetraazaaceanthrylene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N4O2S
InChI InChI=1S/C18H18N4O2S/c1-3-5-10-22-17-13-14(20-21-22)16(18(23)24-4-2)25-15(13)11-8-6-7-9-12(11)19-17/h6-9H,3-5,10H2,1-2H3
InChIKey FFNWFDHMWWPGMJ-UHFFFAOYSA-N
Molecular Weight 354.428 g/mol
SMILES c1(sc2c3ccccc3nc3N(N=Nc1c23)CCCC)C(=O)OCC
SPLASH splash10-0imi-1397000000-36b15e6d103e86e9f47e
Source of Spectrum AJ-42-573-22
Wiley ID 1567886