| SpectraBase Compound ID | L7QdHiMVprw |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-5-6-7-11-21-16(19)14-9-8-10-15(12-14)17(20)22-13-18(2,3)4/h8-10,12H,5-7,11,13H2,1-4H3 |
| InChIKey | ANFABKSQZPSEOC-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 | 2a9E2WmInSG |
|---|---|
| Name | Isophthalic acid, neopentyl pentyl 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/c1-5-6-7-11-21-16(19)14-9-8-10-15(12-14)17(20)22-13-18(2,3)4/h8-10,12H,5-7,11,13H2,1-4H3 |
| InChIKey | ANFABKSQZPSEOC-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OCCCCC)=O)(OCC(C)(C)C)=O |