| SpectraBase Spectrum ID |
KoTHy0W5xQA |
| Name |
1-Benzyl 3-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (2'R/S)-2'-isopropylmalonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H34O4 |
| InChI |
InChI=1S/C23H34O4/c1-15(2)19-12-11-17(5)13-20(19)27-23(25)21(16(3)4)22(24)26-14-18-9-7-6-8-10-18/h6-10,15-17,19-21H,11-14H2,1-5H3/t17-,19+,20-,21?/m1/s1 |
| InChIKey |
RSLZLQMBOIBPHY-IOTSQUBESA-N |
| Instrument Name |
Finnigan MAT, Varian Saturn II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.5 |
| Molecular Weight |
374.521 g/mol |
| SMILES |
C1[C@](C[C@]([C@@](C1)(C(C)C)[H])(OC(C(C(=O)OCc1ccccc1)C(C)C)=O)[H])(C)[H] |
| SPLASH |
splash10-000f-9220000000-85435b6672ca3b937b25 |
| Source of Spectrum |
BJO-13-SM6-7a/b |
| Wiley ID |
1848334 |
![1-Benzyl 3-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (2'R/S)-2'-isopropylmalonate](/api/spectrum/KoTHy0W5xQA/structure.png?h=300&w=458 "1-Benzyl 3-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (2'R/S)-2'-isopropylmalonate")
