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Ethyl Cyano[5-(4-cyanobenzoyl)-2-phenylthiazol-4-yl]acetate
SpectraBase Compound ID HYWxaLBsUdB
InChI InChI=1S/C22H15N3O3S/c1-2-28-22(27)17(13-24)18-20(19(26)15-10-8-14(12-23)9-11-15)29-21(25-18)16-6-4-3-5-7-16/h3-11,17H,2H2,1H3
InChIKey MNNIKONBFNXZEN-UHFFFAOYSA-N
Mol Weight 401.44 g/mol
Molecular Formula C22H15N3O3S
Exact Mass 401.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46EuGMgGcm2
Name Ethyl Cyano[5-(4-cyanobenzoyl)-2-phenylthiazol-4-yl]acetate
Alternate Name(s) Ethyl cyano[5-(4-cyanobenzoyl)-2-phenyl-1,3-thiazol-4-yl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15N3O3S
InChI InChI=1S/C22H15N3O3S/c1-2-28-22(27)17(13-24)18-20(19(26)15-10-8-14(12-23)9-11-15)29-21(25-18)16-6-4-3-5-7-16/h3-11,17H,2H2,1H3
InChIKey MNNIKONBFNXZEN-UHFFFAOYSA-N
Molecular Weight 401.440 g/mol
SMILES C(C(c1nc(sc1C(c1ccc(cc1)C#N)=O)-c1ccccc1)C#N)(=O)OCC
SPLASH splash10-0udi-0902300000-bd541279267a86967e65
Source of Spectrum O1-63-2325-8
Wiley ID 1592843