| SpectraBase Spectrum ID |
6ytX7Nn8LrG |
| Name |
1,1-bis(4-Hydroxyphenyl)-2,2,2-trichloroethane, bis(2-methylpropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.066192317 u |
| Formula |
C22H23Cl3O4 |
| InChI |
InChI=1S/C22H23Cl3O4/c1-13(2)20(26)28-17-9-5-15(6-10-17)19(22(23,24)25)16-7-11-18(12-8-16)29-21(27)14(3)4/h5-14,19H,1-4H3 |
| InChIKey |
DXRRRNFBZPSKBO-UHFFFAOYSA-N |
| Molecular Weight |
457.781 g/mol |
| SMILES |
C(Cl)(Cl)(Cl)C(C1=CC=C(C=C1)OC(C(C)C)=O)C1=CC=C(C=C1)OC(C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809925 |
