| SpectraBase Spectrum ID |
BPKBGHPPqe3 |
| Name |
Diethyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxo-1,3-cyclohexanedicarboxylate, tms derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
465.181893489 u |
| Formula |
C22H31NO8Si |
| InChI |
InChI=1S/C22H31NO8Si/c1-7-29-20(25)18-16(24)13-22(3,31-32(4,5)6)19(21(26)30-8-2)17(18)14-9-11-15(12-10-14)23(27)28/h9-12,17-19H,7-8,13H2,1-6H3 |
| InChIKey |
APNUOGPFSJQAIQ-UHFFFAOYSA-N |
| Molecular Weight |
465.574 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(C=C1)C1C(C(CC(C1C(=O)OCC)=O)(O[Si](C)(C)C)C)C(=O)OCC |
