SpectraBase Spectrum ID |
J7fvxs6Stkn |
Name |
Phthalic acid, butyl hept-4-yl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
320.198759378 u |
Formula |
C19H28O4 |
InChI |
InChI=1S/C19H28O4/c1-4-7-14-22-18(20)16-12-8-9-13-17(16)19(21)23-15(10-5-2)11-6-3/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3 |
InChIKey |
ZAXDQMARDKFTCL-UHFFFAOYSA-N |
Molecular Weight |
320.429 g/mol |
SMILES |
C1=CC(=C(C=C1)C(OC(CCC)CCC)=O)C(OCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905737 |