| SpectraBase Spectrum ID |
4GQcg0xLvEU |
| Name |
Copolyester of 1,4-butanediol with terephthalic and isophthalic acids |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.235538809 u |
| Formula |
C26H34O6 |
| InChI |
InChI=1S/2C10H10O2.C6H14O2/c1-7(11)9-3-5-10(6-4-9)8(2)12;1-7(11)9-4-3-5-10(6-9)8(2)12;1-7-5-3-4-6-8-2/h2*3-6H,1-2H3;3-6H2,1-2H3 |
| InChIKey |
AUSZOVCSEXKSTR-UHFFFAOYSA-N |
| Molecular Weight |
442.552 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(=O)C)C(=O)C.C1(=CC(=CC=C1)C(C)=O)C(C)=O.COCCCCOC |
| Spectrum/Structure Validation Score (Raman) |
0.891378 |
