| SpectraBase Compound ID | 5yWWlVLuRwp |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-13(17)14-8-7-9-15(12-14)16(18)20-11-6-4-3-5-10-19-2/h7-9,12H,3-6,10-11H2,1-2H3 |
| InChIKey | BHKVWMJTRYROJP-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CuvsgZJPXcU |
|---|---|
| Name | Poly(hexamethylene isophthalate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-13(17)14-8-7-9-15(12-14)16(18)20-11-6-4-3-5-10-19-2/h7-9,12H,3-6,10-11H2,1-2H3 |
| InChIKey | BHKVWMJTRYROJP-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| Nominal Mass | 278 u |
| SMILES | C(OC(C1=CC=CC(=C1)C(=O)C)=O)CCCCCOC |