| SpectraBase Spectrum ID |
E30ro1njrAO |
| Name |
1-Benzyl 3-[(1R,2S,5R)-2-(tert-butyl)-5-methylcyclohexyl] (2'R/S)-2'-(tert-butyl)malonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38O4 |
| InChI |
InChI=1S/C25H38O4/c1-17-13-14-19(24(2,3)4)20(15-17)29-23(27)21(25(5,6)7)22(26)28-16-18-11-9-8-10-12-18/h8-12,17,19-21H,13-16H2,1-7H3/t17-,19-,20-,21?/m1/s1 |
| InChIKey |
NUBGIFMQUKGNQM-VUHOJNHNSA-N |
| Instrument Name |
Finnigan MAT, Varian Saturn II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.5 |
| Molecular Weight |
402.575 g/mol |
| SMILES |
C1[C@](C[C@]([C@@](C1)(C(C)(C)C)[H])(OC(C(C(=O)OCc1ccccc1)C(C)(C)C)=O)[H])(C)[H] |
| SPLASH |
splash10-0006-9000000000-5f30ce4b480319257ee5 |
| Source of Spectrum |
BJO-13-SM7-9a/b |
| Wiley ID |
1848336 |
![1-Benzyl 3-[(1R,2S,5R)-2-(tert-butyl)-5-methylcyclohexyl] (2'R/S)-2'-(tert-butyl)malonate](/api/spectrum/E30ro1njrAO/structure.png?h=300&w=458 "1-Benzyl 3-[(1R,2S,5R)-2-(tert-butyl)-5-methylcyclohexyl] (2'R/S)-2'-(tert-butyl)malonate")
