| SpectraBase Spectrum ID |
46Cc6EPr2mn |
| Name |
Copolyester of 1,4-butanediol with terephthalic and sebacic acids |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.329439195 u |
| Formula |
C28H46O6 |
| InChI |
InChI=1S/C12H22O2.C10H10O2.C6H14O2/c1-11(13)9-7-5-3-4-6-8-10-12(2)14;1-7(11)9-3-5-10(6-4-9)8(2)12;1-7-5-3-4-6-8-2/h3-10H2,1-2H3;3-6H,1-2H3;3-6H2,1-2H3 |
| InChIKey |
JSUKGOFJUZOKIA-UHFFFAOYSA-N |
| Molecular Weight |
478.670 g/mol |
| Nominal Mass |
478 u |
| SMILES |
C=1C(=CC=C(C1)C(=O)C)C(=O)C.C(OC)CCCOC.C(C(C)=O)CCCCCCCC(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.770036 |
