| SpectraBase Compound ID | DgDIlPr1BP6 |
|---|---|
| InChI | InChI=1S/C23H32O4/c1-3-5-6-7-8-9-10-11-12-13-14-18-27-23(25)21-17-15-16-20(19-21)22(24)26-4-2/h15-17,19H,3-12,18H2,1-2H3 |
| InChIKey | YIVXZOWRVNKJIO-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C23H32O4 |
| Exact Mass | 372.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hodk1E5qkIn |
|---|---|
| Name | Isophthalic acid, ethyl tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.230059506 u |
| Formula | C23H32O4 |
| InChI | InChI=1S/C23H32O4/c1-3-5-6-7-8-9-10-11-12-13-14-18-27-23(25)21-17-15-16-20(19-21)22(24)26-4-2/h15-17,19H,3-12,18H2,1-2H3 |
| InChIKey | YIVXZOWRVNKJIO-UHFFFAOYSA-N |
| Molecular Weight | 372.505 g/mol |
| SMILES | C1=CC(=CC(=C1)C(OCC#CCCCCCCCCCC)=O)C(OCC)=O |