| SpectraBase Spectrum ID |
IiDbOHhqLNL |
| Name |
Copolyester of 1,4-butanediol with terephthalic and adipic acids |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.266838938 u |
| Formula |
C24H38O6 |
| InChI |
InChI=1S/C10H10O2.C8H14O2.C6H14O2/c1-7(11)9-3-5-10(6-4-9)8(2)12;1-7(9)5-3-4-6-8(2)10;1-7-5-3-4-6-8-2/h3-6H,1-2H3;3-6H2,1-2H3;3-6H2,1-2H3 |
| InChIKey |
XOWVWOYIKVQXQE-UHFFFAOYSA-N |
| Molecular Weight |
422.562 g/mol |
| Nominal Mass |
422 u |
| SMILES |
C=1C(=CC=C(C1)C(=O)C)C(=O)C.C(OC)CCCOC.C(C(C)=O)CCCC(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.935338 |
