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Ethyl 2-(4-chlorobenzoyl)-4-cyanobutanoate
SpectraBase Compound ID HX3rAuq8khS
InChI InChI=1S/C14H14ClNO3/c1-2-19-14(18)12(4-3-9-16)13(17)10-5-7-11(15)8-6-10/h5-8,12H,2-4H2,1H3
InChIKey YMNZENGOGSPXFQ-UHFFFAOYSA-N
Mol Weight 279.72 g/mol
Molecular Formula C14H14ClNO3
Exact Mass 279.066221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTJ3saU3soU
Name Ethyl 2-(4-chlorobenzoyl)-4-cyanobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14ClNO3
InChI InChI=1S/C14H14ClNO3/c1-2-19-14(18)12(4-3-9-16)13(17)10-5-7-11(15)8-6-10/h5-8,12H,2-4H2,1H3
InChIKey YMNZENGOGSPXFQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201204469
Molecular Weight 279.723 g/mol
SMILES c1c(ccc(c1)Cl)C(=O)C(C(=O)OCC)CCC#N
SPLASH splash10-000i-0900000000-a3fc0ea2ae078a3efa58
Source of Spectrum ACI-51-SM8-S3e
Wiley ID 1780646