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Ethyl 4-(Cyanoethoxycarbonylmethyl)azulene-1-carboxylate
SpectraBase Compound ID 1gABjIMPpTr
InChI InChI=1S/C18H17NO4/c1-3-22-17(20)15-10-9-14-12(15)7-5-6-8-13(14)16(11-19)18(21)23-4-2/h5-10,16H,3-4H2,1-2H3
InChIKey NOMHWVKNCAYJHZ-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1k8CqNd0ER2
Name Ethyl 4-(Cyanoethoxycarbonylmethyl)azulene-1-carboxylate
Alternate Name(s) Ethyl 4-[2-(2-cyanoethoxy)-2-oxoethyl]-1-azulenecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c1-3-22-17(20)15-10-9-14-12(15)7-5-6-8-13(14)16(11-19)18(21)23-4-2/h5-10,16H,3-4H2,1-2H3
InChIKey NOMHWVKNCAYJHZ-UHFFFAOYSA-N
Molecular Weight 311.337 g/mol
SMILES c12c(c(C(=O)OCC)cc2)ccccc1C(C(=O)OCC)C#N
SPLASH splash10-02tc-0965000000-1acabd27309d3eb1e700
Source of Spectrum QA-44-267-3
Wiley ID 862351