| SpectraBase Spectrum ID |
5LuBLxmH6gF |
| Name |
Phthalic acid, hept-4-yl propyl 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/c1-4-9-14(10-5-2)22-18(20)16-12-8-7-11-15(16)17(19)21-13-6-3/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3 |
| InChIKey |
HQEZQOJZXABAKM-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(OC(CCC)CCC)=O)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935737 |
