| SpectraBase Spectrum ID |
4AfNl4EMcT |
| Name |
1-Benzyl 3-[(1R,2S,5R)-2-(2-phenylpropan-2yl)-5-methylcyclohexyl] (2'R/S)-2'-isopropylmalonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H38O4 |
| InChI |
InChI=1S/C29H38O4/c1-20(2)26(27(30)32-19-22-12-8-6-9-13-22)28(31)33-25-18-21(3)16-17-24(25)29(4,5)23-14-10-7-11-15-23/h6-15,20-21,24-26H,16-19H2,1-5H3/t21-,24-,25-,26?/m1/s1 |
| InChIKey |
NJVZORNFZSZEPZ-CWAYEAGISA-N |
| Instrument Name |
Finnigan MAT, Varian Saturn II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.5 |
| Molecular Weight |
450.619 g/mol |
| SMILES |
C1[C@](C[C@]([C@@](C1)(C(c1ccccc1)(C)C)[H])(OC(C(C(=O)OCc1ccccc1)C(C)C)=O)[H])(C)[H] |
| SPLASH |
splash10-00kf-9610000000-e3c0b624ec2bc6a5eac4 |
| Source of Spectrum |
BJO-13-SM9-11a/b |
| Wiley ID |
1848311 |
![1-Benzyl 3-[(1R,2S,5R)-2-(2-phenylpropan-2yl)-5-methylcyclohexyl] (2'R/S)-2'-isopropylmalonate](/api/spectrum/4AfNl4EMcT/structure.png?h=300&w=458 "1-Benzyl 3-[(1R,2S,5R)-2-(2-phenylpropan-2yl)-5-methylcyclohexyl] (2'R/S)-2'-isopropylmalonate")
