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(E)-3-(3-nitrophenyl)-1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]-2-propen-1-one
SpectraBase Compound ID ES7HYmJthLi
InChI InChI=1S/C22H21N3O3S/c1-15-14-22(2,3)23-21(29)24(15)18-8-5-7-17(13-18)20(26)11-10-16-6-4-9-19(12-16)25(27)28/h4-14H,1-3H3,(H,23,29)/b11-10+
InChIKey UZSOKTGMFDNVKV-ZHACJKMWSA-N
Mol Weight 407.49 g/mol
Molecular Formula C22H21N3O3S
Exact Mass 407.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Y5GtLSuDpp
Name (E)-3-(3-nitrophenyl)-1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]-2-propen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O3S
InChI InChI=1S/C22H21N3O3S/c1-15-14-22(2,3)23-21(29)24(15)18-8-5-7-17(13-18)20(26)11-10-16-6-4-9-19(12-16)25(27)28/h4-14H,1-3H3,(H,23,29)/b11-10+
InChIKey UZSOKTGMFDNVKV-ZHACJKMWSA-N
Molecular Weight 407.488 g/mol
SMILES N1C(N(C(=CC1(C)C)C)c1cc(ccc1)C(\C=C\c1cc(ccc1)N(=O)=O)=O)=S
SPLASH splash10-0006-9613100000-71dff70f8d59b2171823
Synonyms (E)-3-(3-nitrophenyl)-1-[3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]prop-2-en-1-one (E)-3-(3-nitrophenyl)-1-[3-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)phenyl]prop-2-en-1-one
Wiley ID 1438346