| SpectraBase Spectrum ID |
Ib2KV24KTTf |
| Name |
Poly(oxybenzoyl-co-oxy-1,4-phenyleneoxy-co-isophthaloyl-co-naphthalenedioyl), 60:20:10:10 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
690.319268433 u |
| Formula |
C43H46O8 |
| InChI |
InChI=1S/C16H16O2.C10H10O2.C9H10O2.C8H10O2/c1-11(17)9-14-7-3-5-13-6-4-8-15(16(13)14)10-12(2)18;1-7(11)9-4-3-5-10(6-9)8(2)12;1-7(10)8-3-5-9(11-2)6-4-8;1-9-7-3-5-8(10-2)6-4-7/h3-8H,9-10H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3 |
| InChIKey |
RNLBQUIUSIVEGN-UHFFFAOYSA-N |
| Molecular Weight |
690.833 g/mol |
| Nominal Mass |
690 u |
| SMILES |
C=1C=C(C=C(C1)C(=O)C)C(=O)C.C=1(C=2C(=CC=CC2C=CC1)CC(=O)C)CC(=O)C.C=1C(=CC=C(C1)OC)OC.COC1=CC=C(C(C)=O)C=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.87644 |
