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

*Links on SpectraBase are not permalinks.
Phthalic acid, isoporpyl pentyl ester
SpectraBase Compound ID 8D4vIt8G9hB
InChI InChI=1S/C16H22O4/c1-4-5-8-11-19-15(17)13-9-6-7-10-14(13)16(18)20-12(2)3/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKey XADBGAAWCHYLPD-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 EoxolEGc0Jh
Name Phthalic acid, isoporpyl pentyl 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/c1-4-5-8-11-19-15(17)13-9-6-7-10-14(13)16(18)20-12(2)3/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKey XADBGAAWCHYLPD-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES C1(=CC=CC=C1C(OC(C)C)=O)C(=O)OCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829022