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Ethyl Cyano[(4-benzoylmethylthio)-2H-1,3-benzoxazin-2-ylidene]acetate
SpectraBase Compound ID 91cWB5Q3vpg
InChI InChI=1S/C21H16N2O4S/c1-2-26-21(25)16(12-22)19-23-20(15-10-6-7-11-18(15)27-19)28-13-17(24)14-8-4-3-5-9-14/h3-11H,2,13H2,1H3/b19-16-
InChIKey UQMOABSFQNSFRH-MNDPQUGUSA-N
Mol Weight 392.43 g/mol
Molecular Formula C21H16N2O4S
Exact Mass 392.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ImnNQVyTWW
Name Ethyl Cyano[(4-benzoylmethylthio)-2H-1,3-benzoxazin-2-ylidene]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O4S
InChI InChI=1S/C21H16N2O4S/c1-2-26-21(25)16(12-22)19-23-20(15-10-6-7-11-18(15)27-19)28-13-17(24)14-8-4-3-5-9-14/h3-11H,2,13H2,1H3/b19-16-
InChIKey UQMOABSFQNSFRH-MNDPQUGUSA-N
Molecular Weight 392.429 g/mol
SMILES C1(=N\C(Oc2c1cccc2)=C\(C(=O)OCC)C#N)SCC(=O)c1ccccc1
SPLASH splash10-052f-0609000000-9db7de17fe435c7098a0
Source of Spectrum O1-63-2327-11
Synonyms Ethyl (2Z)-cyano{4-[(2-oxo-2-phenylethyl)sulfanyl]-2H-1,3-benzoxazin-2-ylidene}ethanoate
Wiley ID 1592837