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2-Propenoic acid, 2-cyano-3-[5-(hydroxymethyl)-1H-pyrrol-2-yl]-, ethyl ester
SpectraBase Compound ID vZysdlUF6b
InChI InChI=1S/C11H12N2O3/c1-2-16-11(15)8(6-12)5-9-3-4-10(7-14)13-9/h3-5,13-14H,2,7H2,1H3/b8-5+
InChIKey KPTMKCMVOOVVGZ-VMPITWQZSA-N
Mol Weight 220.23 g/mol
Molecular Formula C11H12N2O3
Exact Mass 220.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xDaPyXl1S2
Name 2-Propenoic acid, 2-cyano-3-[5-(hydroxymethyl)-1H-pyrrol-2-yl]-, ethyl ester
CAS Registry Number 70582-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2O3
InChI InChI=1S/C11H12N2O3/c1-2-16-11(15)8(6-12)5-9-3-4-10(7-14)13-9/h3-5,13-14H,2,7H2,1H3/b8-5+
InChIKey KPTMKCMVOOVVGZ-VMPITWQZSA-N
Molecular Weight 220.228 g/mol
SMILES [nH]1c(CO)ccc1\C=C\(C(=O)OCC)C#N
SPLASH splash10-00dj-0920000000-1c74d3901f1b6789c93f
Source of Spectrum SB-33-130-0
Synonyms 2-(ethoxycarbonylcyanomethyl)-5-hydroxymethylpyrrole 2-Cyanoacrylate-5-pyrrolemethanol Ethyl (2E)-2-cyano-3-[5-(hydroxymethyl)-1H-pyrrol-2-yl]-2-propenoate
Wiley ID 1219546