| SpectraBase Spectrum ID |
IDpgpBtwbQz |
| Name |
[(1S,5S)-5-methyl-2-phenyl-cyclohex-2-en-1-yl] butanoate |
| Appearance |
Viscous oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O2 |
| InChI |
InChI=1S/C17H22O2/c1-3-7-17(18)19-16-12-13(2)10-11-15(16)14-8-5-4-6-9-14/h4-6,8-9,11,13,16H,3,7,10,12H2,1-2H3/t13-,16-/m0/s1 |
| InChIKey |
PLMHMKKNHKRTFT-BBRMVZONSA-N |
| Instrument Name |
Hewlett-Packard 5971 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c01375 |
| Molecular Weight |
258.361 g/mol |
| SMILES |
c1cccc(c1)C=1[C@](C[C@](CC1)(C)[H])(OC(CCC)=O)[H] |
| SPLASH |
splash10-05fr-0900000000-bf7a6feb73f0e3785df4 |
| Sample Comments |
dr = 68:32 |
| Source of Spectrum |
A1-23-SM8-5ca |
| Wiley ID |
1867984 |
![[(1S,5S)-5-methyl-2-phenyl-cyclohex-2-en-1-yl] butanoate](/api/spectrum/IDpgpBtwbQz/structure.png?h=300&w=458 "[(1S,5S)-5-methyl-2-phenyl-cyclohex-2-en-1-yl] butanoate")
