| SpectraBase Compound ID | GdOTwYxDa62 |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-5-6-11-21-17(19)15-8-7-9-16(13-15)18(20)22-12-10-14(2)3/h7-9,13-14H,4-6,10-12H2,1-3H3 |
| InChIKey | VIGBETIJXSCPIH-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 | KFKQAAd8ssP |
|---|---|
| Name | Isophthalic acid, 3-methylbutyl 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/c1-4-5-6-11-21-17(19)15-8-7-9-16(13-15)18(20)22-12-10-14(2)3/h7-9,13-14H,4-6,10-12H2,1-3H3 |
| InChIKey | VIGBETIJXSCPIH-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OCCC(C)C)=O)C(=O)OCCCCC |