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Ethyl 1-Benzyl-2-(cyanomethyl)-1H-pyrrole-3-acetate
SpectraBase Compound ID BVTvbai8Jax
InChI InChI=1S/C17H18N2O2/c1-2-21-17(20)12-15-9-11-19(16(15)8-10-18)13-14-6-4-3-5-7-14/h3-7,9,11H,2,8,12-13H2,1H3
InChIKey LANFZPNDPQPSNG-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C17H18N2O2
Exact Mass 282.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWkRk9qRBLu
Name Ethyl 1-Benzyl-2-(cyanomethyl)-1H-pyrrole-3-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O2
InChI InChI=1S/C17H18N2O2/c1-2-21-17(20)12-15-9-11-19(16(15)8-10-18)13-14-6-4-3-5-7-14/h3-7,9,11H,2,8,12-13H2,1H3
InChIKey LANFZPNDPQPSNG-UHFFFAOYSA-N
Molecular Weight 282.343 g/mol
SMILES c1([n](ccc1CC(=O)OCC)Cc1ccccc1)CC#N
SPLASH splash10-052f-8090000000-315be8d8362d81367c70
Source of Spectrum F4-42-3349-16
Synonyms 2-[2-(cyanomethyl)-1-(phenylmethyl)-3-pyrrolyl]acetic acid ethyl ester Ethyl 2-[1-benzyl-2-(cyanomethyl)pyrrol-3-yl]acetate Ethyl 2-[2-(cyanomethyl)-1-(phenylmethyl)pyrrol-3-yl]ethanoate
Wiley ID 1674847