| SpectraBase Compound ID | G821PhmYDNd |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-4-13(17-3)9-18-14(16)12-7-5-6-11(8-12)10(2)15/h5-8,13H,4,9H2,1-3H3 |
| InChIKey | NDGRUJZDCNGRES-UHFFFAOYSA-N |
| Mol Weight | 250.29 g/mol |
| Molecular Formula | C14H18O4 |
| Exact Mass | 250.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4IiNEBQSDWq |
|---|---|
| Name | Poly(1,2-butanediol isophthalate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.120509056 u |
| Formula | C14H18O4 |
| InChI | InChI=1S/C14H18O4/c1-4-13(17-3)9-18-14(16)12-7-5-6-11(8-12)10(2)15/h5-8,13H,4,9H2,1-3H3 |
| InChIKey | NDGRUJZDCNGRES-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| Nominal Mass | 250 u |
| SMILES | C(OC(C=1C=C(C=CC1)C(=O)C)=O)C(OC)CC |