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Ethyl [(E)- and (Z)]-3-phenylamino-2-thiocyanatopropenoate
SpectraBase Compound ID 67qpmbrNetT
InChI InChI=1S/C12H12N2O2S/c1-2-16-12(15)11(14-9-17)8-13-10-6-4-3-5-7-10/h3-8,13H,2H2,1H3/b11-8-
InChIKey UEDUSGLTDARTFZ-FLIBITNWSA-N
Mol Weight 248.3 g/mol
Molecular Formula C12H12N2O2S
Exact Mass 248.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iWE2voEmN2
Name Ethyl [(E)- and (Z)]-3-phenylamino-2-thiocyanatopropenoate
Alternate Name(s) Ethyl (2Z)-3-anilino-2-isothiocyanato-2-propenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O2S
InChI InChI=1S/C12H12N2O2S/c1-2-16-12(15)11(14-9-17)8-13-10-6-4-3-5-7-10/h3-8,13H,2H2,1H3/b11-8-
InChIKey UEDUSGLTDARTFZ-FLIBITNWSA-N
Molecular Weight 248.300 g/mol
SMILES N(\C=C\(C(=O)OCC)N=C=S)c1ccccc1
SPLASH splash10-05tb-0970000000-7233f73f454bdd685453
Source of Spectrum B-48-567-0
Wiley ID 1250748