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Terephthalic acid, 4-cyanophenyl propyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Terephthalic acid, 4-cyanophenyl propyl ester
SpectraBase Compound ID EzZhVENbbwx
InChI InChI=1S/C18H15NO4/c1-2-11-22-17(20)14-5-7-15(8-6-14)18(21)23-16-9-3-13(12-19)4-10-16/h3-10H,2,11H2,1H3
InChIKey MTJFNOUHFNHWIU-UHFFFAOYSA-N
Mol Weight 309.32 g/mol
Molecular Formula C18H15NO4
Exact Mass 309.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5832GB9L7rD
Name Terephthalic acid, 4-cyanophenyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.100107963 u
Formula C18H15NO4
InChI InChI=1S/C18H15NO4/c1-2-11-22-17(20)14-5-7-15(8-6-14)18(21)23-16-9-3-13(12-19)4-10-16/h3-10H,2,11H2,1H3
InChIKey MTJFNOUHFNHWIU-UHFFFAOYSA-N
SMILES C1(=CC=C(C=C1)C(OCCC)=O)C(OC1=CC=C(C=C1)C#N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843135