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 |