| SpectraBase Spectrum ID |
WAsXJhNpp9 |
| Name |
Polyester based on phenolphthalein, 4-hydroxybenzoic and phthalic 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)28-14-20-33(21-15-28)52-41(47)36-10-3-4-11-37(36)42(48)53-35-9-7-8-29(26-35)40(46)51-34-24-18-31(19-25-34)44(30-16-22-32(50-2)23-17-30)39-13-6-5-12-38(39)43(49)54-44/h3-26H,1-2H3 |
| InChIKey |
AAHAYHVTOBIVPN-UHFFFAOYSA-N |
| Molecular Weight |
718.714 g/mol |
| Nominal Mass |
718 u |
| SMILES |
C=1C(C(OC=2C=CC(C(C)=O)=CC2)=O)=C(C=CC1)C(=O)OC=1C=CC=C(C1)C(=O)OC1=CC=C(C=C1)C1(C=2C=CC(OC)=CC2)C2=C(C(O1)=O)C=CC=C2 |
