| SpectraBase Spectrum ID |
JGCe52ZZq1x |
| Name |
Copolyester of 1,4-butanediol with terephthalic and suberic acids |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.298139066 u |
| Formula |
C26H42O6 |
| InChI |
InChI=1S/C10H10O2.C10H18O2.C6H14O2/c1-7(11)9-3-5-10(6-4-9)8(2)12;1-9(11)7-5-3-4-6-8-10(2)12;1-7-5-3-4-6-8-2/h3-6H,1-2H3;3-8H2,1-2H3;3-6H2,1-2H3 |
| InChIKey |
GFJHXRWIXLTPRI-UHFFFAOYSA-N |
| Molecular Weight |
450.616 g/mol |
| Nominal Mass |
450 u |
| SMILES |
C=1C(=CC=C(C1)C(=O)C)C(=O)C.C(OC)CCCOC.C(C(C)=O)CCCCCC(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.959787 |
