For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Phthalic acid, 3-methylbutyl propyl ester

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

Phthalic acid, 3-methylbutyl propyl ester
SpectraBase Compound ID 8AZYenl3CUP
InChI InChI=1S/C16H22O4/c1-4-10-19-15(17)13-7-5-6-8-14(13)16(18)20-11-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKey YYXOSESSUHFKIG-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BVX8ZFXSAhj
Name Phthalic acid, 3-methylbutyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.151809184 u
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-4-10-19-15(17)13-7-5-6-8-14(13)16(18)20-11-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKey YYXOSESSUHFKIG-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES C1=C(C(=CC=C1)C(OCCC)=O)C(OCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.857831