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4-Isothiazolecarbonitrile, 5-ethoxy-3-phenyl-
SpectraBase Compound ID LdyUqOiy13h
InChI InChI=1S/C12H10N2OS/c1-2-15-12-10(8-13)11(14-16-12)9-6-4-3-5-7-9/h3-7H,2H2,1H3
InChIKey ZYFYHPFLQRVEMT-UHFFFAOYSA-N
Mol Weight 230.28 g/mol
Molecular Formula C12H10N2OS
Exact Mass 230.051384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9J6W7A4kdrz
Name 4-Isothiazolecarbonitrile, 5-ethoxy-3-phenyl-
CAS Registry Number 126938-69-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2OS
InChI InChI=1S/C12H10N2OS/c1-2-15-12-10(8-13)11(14-16-12)9-6-4-3-5-7-9/h3-7H,2H2,1H3
InChIKey ZYFYHPFLQRVEMT-UHFFFAOYSA-N
Molecular Weight 230.285 g/mol
SMILES c1(c(nsc1OCC)-c1ccccc1)C#N
SPLASH splash10-0udr-1890000000-37aee81adaeec99efe6b
Source of Spectrum B-42-1298-2
Synonyms 2-Ethoxy-3-phenylisothiazole-4-carbonitrile 5-Ethoxy-3-phenyl-4-isothiazolecarbonitrile
Wiley ID 1231533