| SpectraBase Spectrum ID |
650KIyomvK6 |
| Name |
Copolyester from 3,3'-dimethylbisphenol A, phenolphthalein (1:1) and terephthalic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
792.366218626 u |
| Formula |
C51H52O8 |
| InChI |
InChI=1S/C22H18O4.C19H24O2.C10H10O2/c1-24-17-11-7-15(8-12-17)22(16-9-13-18(25-2)14-10-16)20-6-4-3-5-19(20)21(23)26-22;1-13-11-15(7-9-17(13)20-5)19(3,4)16-8-10-18(21-6)14(2)12-16;1-7(11)9-3-5-10(6-4-9)8(2)12/h3-14H,1-2H3;7-12H,1-6H3;3-6H,1-2H3 |
| InChIKey |
TYPQHXIWOAWXNK-UHFFFAOYSA-N |
| Molecular Weight |
792.969 g/mol |
| Nominal Mass |
792 u |
| SMILES |
C=1C=C(C=CC1C(=O)C)C(C)=O.COC1=CC=C(C=C1)C1(C2=CC=C(C=C2)OC)C=2C=CC=CC2C(O1)=O.COC=1C=CC(=CC1C)C(C)(C)C1=CC=C(C(=C1)C)OC |
