| SpectraBase Spectrum ID |
Ekkc4kMOyZO |
| Name |
Polyester based on bisphenol-A, 4-hydroxybenzoic and 2,6-naphthalenedicarboxylic acids |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
678.225368047 u |
| Formula |
C43H34O8 |
| InChI |
InChI=1S/C43H34O8/c1-27(44)28-9-17-37(18-10-28)50-41(46)32-7-5-31-26-33(8-6-30(31)25-32)42(47)51-38-19-11-29(12-20-38)40(45)49-39-23-15-35(16-24-39)43(2,3)34-13-21-36(48-4)22-14-34/h5-26H,1-4H3 |
| InChIKey |
PWUUVFDTKGTFKY-UHFFFAOYSA-N |
| Molecular Weight |
678.737 g/mol |
| Nominal Mass |
678 u |
| SMILES |
C=1C=C(C=CC1OC(=O)C1=CC=2C=CC(C(=O)OC=3C=CC(=CC3)C(OC3=CC=C(C=C3)C(C)(C)C=3C=CC(=CC3)OC)=O)=CC2C=C1)C(=O)C |
