| SpectraBase Compound ID | BSBRbhae3Js |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-10(14)11-4-6-12(7-5-11)13(15)17-9-3-8-16-2/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | OFIPSZQGMVRNLO-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASBhzCBZRNG |
|---|---|
| Name | Poly(trimethylene terephthalate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-10(14)11-4-6-12(7-5-11)13(15)17-9-3-8-16-2/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | OFIPSZQGMVRNLO-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| Nominal Mass | 236 u |
| SMILES | C(CCOC)OC(C=1C=CC(=CC1)C(=O)C)=O |