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Hexanoic acid, 2-cyano-2-hydroxy-, ethyl ester, benzoate (ester)
SpectraBase Compound ID LEerqEnlgXw
InChI InChI=1S/C16H19NO4/c1-3-5-11-16(12-17,15(19)20-4-2)21-14(18)13-9-7-6-8-10-13/h6-10H,3-5,11H2,1-2H3
InChIKey CWHLGKBVELSITM-UHFFFAOYSA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUEwpQCdO3I
Name Hexanoic acid, 2-cyano-2-hydroxy-, ethyl ester, benzoate (ester)
CAS Registry Number 19788-60-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-3-5-11-16(12-17,15(19)20-4-2)21-14(18)13-9-7-6-8-10-13/h6-10H,3-5,11H2,1-2H3
InChIKey CWHLGKBVELSITM-UHFFFAOYSA-N
Molecular Weight 289.331 g/mol
SMILES CCCCC(C#N)(C(=O)OCC)OC(c1ccccc1)=O
SPLASH splash10-0a4i-9700000000-d106ee793d4fedb1a399
Source of Spectrum T-68-3649-0
Synonyms 1-Cyano-1-(ethoxycarbonyl)pentyl benzoate (2-cyano-1-ethoxy-1-oxidanylidene-hexan-2-yl) benzoate (2-cyano-1-ethoxy-1-oxohexan-2-yl) benzoate benzoic acid (1-carbethoxy-1-cyano-pentyl) ester benzoic acid (2-cyano-1-ethoxy-1-oxohexan-2-yl) ester
Wiley ID 42597