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 |