| SpectraBase Spectrum ID |
EOwk5psp2TD |
| Name |
Phthalic acid, butyl hept-3-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/c1-4-7-11-15(6-3)23-19(21)17-13-10-9-12-16(17)18(20)22-14-8-5-2/h9-10,12-13,15H,4-8,11,14H2,1-3H3 |
| InChIKey |
JHYCAHYFBLDYBG-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C1=CC=CC(=C1C(OC(CC)CCCC)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899817 |
