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rac-[5-(4-Carboxyethylphenyl)furan-2-yl]cyanomethylbutanoate
SpectraBase Compound ID 9jhq9Woyta9
InChI InChI=1S/C19H19NO5/c1-3-4-18(21)25-17(11-20)16-10-9-15(24-16)14-7-5-13(6-8-14)12(2)19(22)23/h5-10,12,17H,3-4H2,1-2H3,(H,22,23)
InChIKey OPQBRXJIJJNAJW-UHFFFAOYSA-N
Mol Weight 341.36 g/mol
Molecular Formula C19H19NO5
Exact Mass 341.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G82kdf55Tbn
Name rac-[5-(4-Carboxyethylphenyl)furan-2-yl]cyanomethylbutanoate
Alternate Name(s) 2-(4-{5-[(butyryloxy)(cyano)methyl]-2-furyl}phenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO5
InChI InChI=1S/C19H19NO5/c1-3-4-18(21)25-17(11-20)16-10-9-15(24-16)14-7-5-13(6-8-14)12(2)19(22)23/h5-10,12,17H,3-4H2,1-2H3,(H,22,23)
InChIKey OPQBRXJIJJNAJW-UHFFFAOYSA-N
Molecular Weight 341.363 g/mol
SMILES OC(C(c1ccc(-c2oc(C(C#N)OC(=O)CCC)cc2)cc1)C)=O
SPLASH splash10-0udi-0291000000-460da380ae17879ffaef
Source of Spectrum KD-14-1902-3
Wiley ID 1636098