| SpectraBase Spectrum ID |
55NfM7rBJ4L |
| Name |
Poly[2,2-diethyl-1,3-propanediol (adipate-co-isophthalate)] |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.313789131 u |
| Formula |
C27H44O6 |
| InChI |
InChI=1S/C10H10O2.C9H20O2.C8H14O2/c1-7(11)9-4-3-5-10(6-9)8(2)12;1-5-9(6-2,7-10-3)8-11-4;1-7(9)5-3-4-6-8(2)10/h3-6H,1-2H3;5-8H2,1-4H3;3-6H2,1-2H3 |
| InChIKey |
FSMFNQKHRLPUHZ-UHFFFAOYSA-N |
| Molecular Weight |
464.643 g/mol |
| Nominal Mass |
464 u |
| SMILES |
C(C(=O)C)CCCC(=O)C.CC(=O)C1=CC=CC(=C1)C(=O)C.C(OC)C(COC)(CC)CC |
![Poly[2,2-diethyl-1,3-propanediol (adipate-co-isophthalate)]](/api/spectrum/55NfM7rBJ4L/structure.png?h=300&w=458 "Poly[2,2-diethyl-1,3-propanediol (adipate-co-isophthalate)]")
