| SpectraBase Spectrum ID |
Hnm69dXmAIQ |
| Name |
1-Benzyl 3-[(1R,2S,5R)-2-(2-phenylpropan-2-yl)-5-methylcyclohexyl] (2'R/S)-2'-(tertbutyl)malonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H40O4 |
| InChI |
InChI=1S/C30H40O4/c1-21-17-18-24(30(5,6)23-15-11-8-12-16-23)25(19-21)34-28(32)26(29(2,3)4)27(31)33-20-22-13-9-7-10-14-22/h7-16,21,24-26H,17-20H2,1-6H3/t21-,24-,25-,26?/m1/s1 |
| InChIKey |
FCQMIVCPJGSQDI-CWAYEAGISA-N |
| Instrument Name |
Finnigan MAT, Varian Saturn II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.5 |
| Molecular Weight |
464.646 g/mol |
| SMILES |
C1[C@](C[C@]([C@@](C1)(C(c1ccccc1)(C)C)[H])(OC(C(C(=O)OCc1ccccc1)C(C)(C)C)=O)[H])(C)[H] |
| SPLASH |
splash10-00kf-9620000000-eea3c84102096c11b0f5 |
| Source of Spectrum |
BJO-13-SM7-10a/b |
| Wiley ID |
1848310 |
![1-Benzyl 3-[(1R,2S,5R)-2-(2-phenylpropan-2-yl)-5-methylcyclohexyl] (2'R/S)-2'-(tertbutyl)malonate](/api/spectrum/Hnm69dXmAIQ/structure.png?h=300&w=458 "1-Benzyl 3-[(1R,2S,5R)-2-(2-phenylpropan-2-yl)-5-methylcyclohexyl] (2'R/S)-2'-(tertbutyl)malonate")
