| SpectraBase Compound ID | LFinPxjOIhT |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-17(2,3)11-21-15(19)13-8-7-9-14(10-13)16(20)22-12-18(4,5)6/h7-10H,11-12H2,1-6H3 |
| InChIKey | WYEHFCKMWFUROQ-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 | 62wLb1pfeBd |
|---|---|
| Name | Isophthalic acid, dineopentyl 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/c1-17(2,3)11-21-15(19)13-8-7-9-14(10-13)16(20)22-12-18(4,5)6/h7-10H,11-12H2,1-6H3 |
| InChIKey | WYEHFCKMWFUROQ-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CC(C)(C)COC(C=1C=C(C(OCC(C)(C)C)=O)C=CC1)=O |