| SpectraBase Spectrum ID |
FdpuXTqJlNA |
| Name |
Polyester based on phenolphthalein, 4-hydroxybenzoic and isophthalic acids |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
718.183897156 u |
| Formula |
C44H30O10 |
| InChI |
InChI=1S/C44H30O10/c1-27(45)28-10-18-35(19-11-28)52-41(47)30-6-5-7-31(26-30)42(48)53-36-20-12-29(13-21-36)40(46)51-37-24-16-33(17-25-37)44(32-14-22-34(50-2)23-15-32)39-9-4-3-8-38(39)43(49)54-44/h3-26H,1-2H3 |
| InChIKey |
REZKCIXUGVFVII-UHFFFAOYSA-N |
| Molecular Weight |
718.714 g/mol |
| Nominal Mass |
718 u |
| SMILES |
C=1C=C(C=CC1OC(=O)C=1C=CC=C(C(=O)OC=2C=CC(=CC2)C(OC2=CC=C(C=C2)C2(C3=CC=CC=C3C(O2)=O)C2=CC=C(C=C2)OC)=O)C1)C(=O)C |
