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Acetic acid 3-(4-cyanophenyl)-1-methyl-3-oxopropenyl ester
SpectraBase Compound ID B7xYb8L2NRz
InChI InChI=1S/C13H11NO3/c1-9(17-10(2)15)7-13(16)12-5-3-11(8-14)4-6-12/h3-7H,1-2H3/b9-7+
InChIKey CSCHGPDFICLANK-VQHVLOKHSA-N
Mol Weight 229.23 g/mol
Molecular Formula C13H11NO3
Exact Mass 229.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GRkNmHN6Rt
Name Acetic acid 3-(4-cyanophenyl)-1-methyl-3-oxopropenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO3
InChI InChI=1S/C13H11NO3/c1-9(17-10(2)15)7-13(16)12-5-3-11(8-14)4-6-12/h3-7H,1-2H3/b9-7+
InChIKey CSCHGPDFICLANK-VQHVLOKHSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(199905)341_4_342
Molecular Weight 229.235 g/mol
SMILES c1(C(=O)\C=C/(C)OC(C)=O)ccc(cc1)C#N
SPLASH splash10-0079-0900000000-70d947ea544e54ede10b
Source of Spectrum JF-341-353-8j
Synonyms (E)-4-(4-cyanophenyl)-4-oxobut-2-en-2-yl acetate
Wiley ID 1766708