| SpectraBase Compound ID | JZMk9FvAziX |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-7-10-14(6-3)22-18(20)16-12-9-8-11-15(16)17(19)21-13-5-2/h8-9,11-12,14H,4-7,10,13H2,1-3H3 |
| InChIKey | PABHUENQUVCJER-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5xGUbpT1BbS |
|---|---|
| Name | Phthalic acid, hept-3-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-4-7-10-14(6-3)22-18(20)16-12-9-8-11-15(16)17(19)21-13-5-2/h8-9,11-12,14H,4-7,10,13H2,1-3H3 |
| InChIKey | PABHUENQUVCJER-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1=CC=CC(=C1C(OC(CC)CCCC)=O)C(OCCC)=O |