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

*Links on SpectraBase are not permalinks.
Propylparaben, 2-methylpropionate
SpectraBase Compound ID 2bayCMU2wv
InChI InChI=1S/C14H18O4/c1-4-9-17-14(16)11-5-7-12(8-6-11)18-13(15)10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKey WOQHQGPFDLLQGY-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 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 3HzFuZJQun1
Name Propylparaben, 2-methylpropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.120509056 u
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-4-9-17-14(16)11-5-7-12(8-6-11)18-13(15)10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKey WOQHQGPFDLLQGY-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES C(OCCC)(=O)C1=CC=C(C=C1)OC(C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893099