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2,6-diamino-4-(1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
SpectraBase Compound ID A6rO5ZolnkH
InChI InChI=1S/C14H10N4O2S/c15-4-8-12(9(5-16)14(18)21-13(8)17)7-1-2-10-11(3-7)20-6-19-10/h1-3,12H,6,17-18H2
InChIKey ODUCLVRKXPWZOR-UHFFFAOYSA-N
Mol Weight 298.32 g/mol
Molecular Formula C14H10N4O2S
Exact Mass 298.052447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5dT01rW9755
Name 2,6-bis(azanyl)-4-(1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10N4O2S
InChI InChI=1S/C14H10N4O2S/c15-4-8-12(9(5-16)14(18)21-13(8)17)7-1-2-10-11(3-7)20-6-19-10/h1-3,12H,6,17-18H2
InChIKey ODUCLVRKXPWZOR-UHFFFAOYSA-N
Molecular Weight 298.320 g/mol
SMILES NC1=C(C(C(=C(S1)N)C#N)c1cc2OCOc2cc1)C#N
SPLASH splash10-0002-4910000000-1acb48cb64590afa174e
Source of Spectrum H1-52-337-2
Synonyms 2,6-Diamino-4-(1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
Wiley ID 817589