| SpectraBase Spectrum ID |
CuPqOLES70M |
| Name |
Poly[2,2-dimethyl-1,3-propanediol (adipate-co-isophthalate)] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.282489002 u |
| Formula |
C25H40O6 |
| InChI |
InChI=1S/C10H10O2.C8H14O2.C7H16O2/c1-7(11)9-4-3-5-10(6-9)8(2)12;1-7(9)5-3-4-6-8(2)10;1-7(2,5-8-3)6-9-4/h3-6H,1-2H3;3-6H2,1-2H3;5-6H2,1-4H3 |
| InChIKey |
QBRAILGJVQTJAN-UHFFFAOYSA-N |
| Molecular Weight |
436.589 g/mol |
| Nominal Mass |
436 u |
| SMILES |
C(C(=O)C)CCCC(=O)C.CC(=O)C1=CC=CC(=C1)C(=O)C.C(OC)C(COC)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.941475 |
![Poly[2,2-dimethyl-1,3-propanediol (adipate-co-isophthalate)]](/api/spectrum/CuPqOLES70M/structure.png?h=300&w=458 "Poly[2,2-dimethyl-1,3-propanediol (adipate-co-isophthalate)]")
