SpectraBase Spectrum ID |
GQ884BvJOaP |
Name |
Phthalic acid, isobutyl 4-methylpent-2-yl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
306.183109313 u |
Formula |
C18H26O4 |
InChI |
InChI=1S/C18H26O4/c1-12(2)10-14(5)22-18(20)16-9-7-6-8-15(16)17(19)21-11-13(3)4/h6-9,12-14H,10-11H2,1-5H3 |
InChIKey |
BKDPCTNXDMCHGN-UHFFFAOYSA-N |
Molecular Weight |
306.402 g/mol |
SMILES |
C1=CC=CC(=C1C(OCC(C)C)=O)C(OC(C)CC(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953005 |