| SpectraBase Compound ID | BLSgV2F80m1 |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-5-6-7-8-9-10-11-15-25-21(23)19-13-12-14-20(16-19)22(24)26-18(4)17(2)3/h12-14,16-18H,5-11,15H2,1-4H3 |
| InChIKey | CXPRCGJNILBOHD-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FEVFugUDkHC |
|---|---|
| Name | Isophthalic acid, 3-methylbut-2-yl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-5-6-7-8-9-10-11-15-25-21(23)19-13-12-14-20(16-19)22(24)26-18(4)17(2)3/h12-14,16-18H,5-11,15H2,1-4H3 |
| InChIKey | CXPRCGJNILBOHD-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(OC(C1=CC(C(OCCCCCCCCC)=O)=CC=C1)=O)(C(C)C)C |