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4-Pentenoic acid, 5-cyano-5-(1,1-dimethylethoxy)-4-methyl-, methyl ester, (Z)-
SpectraBase Compound ID Dqh4IBTgzQ9
InChI InChI=1S/C12H19NO3/c1-9(6-7-11(14)15-5)10(8-13)16-12(2,3)4/h6-7H2,1-5H3/b10-9-
InChIKey UJNFJLIPBYHJOC-KTKRTIGZSA-N
Mol Weight 225.29 g/mol
Molecular Formula C12H19NO3
Exact Mass 225.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Csi0TYapYhS
Name 4-Pentenoic acid, 5-cyano-5-(1,1-dimethylethoxy)-4-methyl-, methyl ester, (Z)-
CAS Registry Number 62115-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO3
InChI InChI=1S/C12H19NO3/c1-9(6-7-11(14)15-5)10(8-13)16-12(2,3)4/h6-7H2,1-5H3/b10-9-
InChIKey UJNFJLIPBYHJOC-KTKRTIGZSA-N
Molecular Weight 225.288 g/mol
SMILES C(\C(=C\(CCC(=O)OC)C)OC(C)(C)C)#N
SPLASH splash10-0a4i-9100000000-4b59fbf6ccc8aa5e2891
Source of Spectrum C-99-185-0
Synonyms 1-Carbomethoxy-3-(cyano-tert-butoxymethylene)-butane Methyl (4Z)-5-tert-butoxy-5-cyano-4-methyl-4-pentenoate
Wiley ID 1226378