| SpectraBase Spectrum ID |
ENgZ9zPcXmD |
| Name |
Phthalic acid, di(hept-3-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-5-9-13-17(7-3)25-21(23)19-15-11-12-16-20(19)22(24)26-18(8-4)14-10-6-2/h11-12,15-18H,5-10,13-14H2,1-4H3 |
| InChIKey |
XOCDHGBOVRXZSQ-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C1=CC=CC(=C1C(OC(CC)CCCC)=O)C(OC(CCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940552 |
