| SpectraBase Compound ID | 3QJ1MmSyyHS |
|---|---|
| InChI | InChI=1S/C25H30O4/c1-17-14-24(4,5)16-25(15-17,20-6-10-22(11-7-20)28-18(2)26)21-8-12-23(13-9-21)29-19(3)27/h6-13,17H,14-16H2,1-5H3 |
| InChIKey | ITZTVNYENTZESE-UHFFFAOYSA-N |
| Mol Weight | 394.51 g/mol |
| Molecular Formula | C25H30O4 |
| Exact Mass | 394.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6cLoXwGj5p4 |
|---|---|
| Name | Bisphenol tmc, diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.214409442 u |
| Formula | C25H30O4 |
| InChI | InChI=1S/C25H30O4/c1-17-14-24(4,5)16-25(15-17,20-6-10-22(11-7-20)28-18(2)26)21-8-12-23(13-9-21)29-19(3)27/h6-13,17H,14-16H2,1-5H3 |
| InChIKey | ITZTVNYENTZESE-UHFFFAOYSA-N |
| Molecular Weight | 394.511 g/mol |
| SMILES | C1=CC(OC(C)=O)=CC=C1C1(CC(C)(C)CC(C1)C)C1=CC=C(C=C1)OC(C)=O |