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1-((Z)-1,3-Dioxo-4-((E)-3-phenylallylidene)-3,4-dihydroisoquinolin-2(1H)-yl)thiourea
SpectraBase Compound ID GzCL7G8ZojN
InChI InChI=1S/C19H15N3O2S/c20-19(25)21-22-17(23)15-11-5-4-10-14(15)16(18(22)24)12-6-9-13-7-2-1-3-8-13/h1-12H,(H3,20,21,25)/b9-6+,16-12-
InChIKey ZHLNLHSQRBOCAC-FLIHGVEMSA-N
Mol Weight 349.41 g/mol
Molecular Formula C19H15N3O2S
Exact Mass 349.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1Ris05sbmA
Name 1-((Z)-1,3-Dioxo-4-((E)-3-phenylallylidene)-3,4-dihydroisoquinolin-2(1H)-yl)thiourea
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15N3O2S
InChI InChI=1S/C19H15N3O2S/c20-19(25)21-22-17(23)15-11-5-4-10-14(15)16(18(22)24)12-6-9-13-7-2-1-3-8-13/h1-12H,(H3,20,21,25)/b9-6+,16-12-
InChIKey ZHLNLHSQRBOCAC-FLIHGVEMSA-N
Instrument Name Shimadzu GC??MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3448
Molecular Weight 349.408 g/mol
SMILES N(N1C(\C(c2ccccc2C1=O)=C/C=C/c1ccccc1)=O)C(=S)N
SPLASH splash10-00dj-0093000000-fcc7228caba85b18023e
Source of Spectrum Y-56-801-6
Wiley ID 1859453