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2,6-diamino-4-(3,4,5-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
SpectraBase Compound ID Gif0ZRhBOVW
InChI InChI=1S/C16H16N4O3S/c1-21-11-4-8(5-12(22-2)14(11)23-3)13-9(6-17)15(19)24-16(20)10(13)7-18/h4-5,13H,19-20H2,1-3H3
InChIKey BLTYMNUOXQGXAI-UHFFFAOYSA-N
Mol Weight 344.39 g/mol
Molecular Formula C16H16N4O3S
Exact Mass 344.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHcYpwvX8rp
Name 2,6-Diamino-4-(3,4,5-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
CAS Registry Number 312265-39-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N4O3S
InChI InChI=1S/C16H16N4O3S/c1-21-11-4-8(5-12(22-2)14(11)23-3)13-9(6-17)15(19)24-16(20)10(13)7-18/h4-5,13H,19-20H2,1-3H3
InChIKey BLTYMNUOXQGXAI-UHFFFAOYSA-N
Molecular Weight 344.389 g/mol
SMILES NC=1SC(=C(C(C1C#N)c1cc(c(c(c1)OC)OC)OC)C#N)N
SPLASH splash10-02du-9670000000-691bdf80b33065b5e7c9
Source of Spectrum AD-0-2532-0
Synonyms 2,6-bis(azanyl)-4-(3,4,5-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile 4H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(3,4,5-trimethoxyphenyl)-
Wiley ID 1426061