1. Primary Information
| English name: | Diheptyl phthalate |
| CAS No.: | 3648-21-3 |
| Molecular formula: | C22H34O4 |
| Molecular weight: | 362.5 g/mol |
| SMILES: | CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC |
| Structural class: | |
| Other identifiers: |
diheptyl phthalate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 98% | 600 | RT | in stock | - |
| Kehua Intelligence | 10g | 98% | 480 | RT | in stock | - |
| Kehua Intelligence | 50g | 98% | 1680 | RT | in stock | - |
| Kehua Intelligence | 250g | 98% | 5600 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
diheptyl benzene-1,2-dicarboxylate
4.2 InChI
InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
4.3 InChIKey
JQCXWCOOWVGKMT-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
