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

*Links on SpectraBase are not permalinks.

Phthalic acid, 2-methylbutyl propyl ester

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

Phthalic acid, 2-methylbutyl propyl ester
SpectraBase Compound ID 42s2TJRcDbU
InChI InChI=1S/C16H22O4/c1-4-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey JAVHHOWZJLFVFA-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

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 1y35764MZ2q
Name Phthalic acid, 2-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)13-8-6-7-9-14(13)16(18)20-11-12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey JAVHHOWZJLFVFA-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES C(C1=C(C=CC=C1)C(OCC(CC)C)=O)(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870349