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ethanone, 1-[9-(4-methoxybenzoyl)-6-methyl-1-phenyl-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-dien-3-yl]-
SpectraBase Compound ID Hji9aQpqtF2
InChI InChI=1S/C20H19N5O3S/c1-14(26)18-22-25(16-7-5-4-6-8-16)20(29-18)23(2)21-13-24(20)19(27)15-9-11-17(28-3)12-10-15/h4-13H,1-3H3
InChIKey CSYUBYQKUVESLG-UHFFFAOYSA-N
Mol Weight 409.46 g/mol
Molecular Formula C20H19N5O3S
Exact Mass 409.120861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjMQBZ89M6g
Name 1-[4-(4-methoxybenzoyl)-1-methyl-6-phenyl-9-thia-1,2,4,6,7-pentazaspiro[4.4]nona-2,7-dien-8-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N5O3S
InChI InChI=1S/C20H19N5O3S/c1-14(26)18-22-25(16-7-5-4-6-8-16)20(29-18)23(2)21-13-24(20)19(27)15-9-11-17(28-3)12-10-15/h4-13H,1-3H3
InChIKey CSYUBYQKUVESLG-UHFFFAOYSA-N
Molecular Weight 409.464 g/mol
SMILES C12(N(C=NN2C)C(c2ccc(cc2)OC)=O)N(N=C(S1)C(=O)C)c1ccccc1
SPLASH splash10-000i-3900000000-77c72a63be298be0f37e
Synonyms 1-[9-[(4-methoxyphenyl)-oxomethyl]-6-methyl-4-phenyl-1-thia-3,4,6,7,9-pentazaspiro[4.4]nona-2,7-dien-2-yl]ethanone 1-[9-(4-methoxybenzoyl)-6-methyl-4-phenyl-1-thia-3,4,6,7,9-pentazaspiro[4.4]nona-2,7-dien-2-yl]ethanone 1-[9-(4-methoxyphenyl)carbonyl-6-methyl-4-phenyl-1-thia-3,4,6,7,9-pentazaspiro[4.4]nona-2,7-dien-2-yl]ethanone
Wiley ID 1462906