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2-Propenoic acid, 2-cyano-3-(1H-pyrrol-1-yl)-, ethyl ester, (E)-
SpectraBase Compound ID 6gzU1lk9jRY
InChI InChI=1S/C10H10N2O2/c1-2-14-10(13)9(7-11)8-12-5-3-4-6-12/h3-6,8H,2H2,1H3/b9-8+
InChIKey WHTMCIWUTMEXFQ-CMDGGOBGSA-N
Mol Weight 190.2 g/mol
Molecular Formula C10H10N2O2
Exact Mass 190.074228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LETcOLGHG3y
Name 2-Propenoic acid, 2-cyano-3-(1H-pyrrol-1-yl)-, ethyl ester, (E)-
Alternate Name(s) ethyl (2E)-2-cyano-3-(1H-pyrrol-1-yl)-2-propenoate Ethyl ester of 2-cyano-3-(1-pyrrolyl)acrylic acid (E)-2-cyano-3-(1-pyrrolyl)-2-propenoic acid ethyl ester ethyl (E)-2-cyano-3-pyrrol-1-ylprop-2-enoate ethyl (E)-2-cyano-3-pyrrol-1-yl-prop-2-enoate
CAS Registry Number 81400-27-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10N2O2
InChI InChI=1S/C10H10N2O2/c1-2-14-10(13)9(7-11)8-12-5-3-4-6-12/h3-6,8H,2H2,1H3/b9-8+
InChIKey WHTMCIWUTMEXFQ-CMDGGOBGSA-N
Molecular Weight 190.202 g/mol
SMILES c1[n](\C=C\(C(=O)OCC)C#N)ccc1
SPLASH splash10-0006-0900000000-a5876a9772f8cbdfc084
Source of Spectrum K-115-717-0
Wiley ID 1186372