| SpectraBase Spectrum ID |
62sg8SxroDe |
| Name |
(E/Z)-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-2-acetoxy-3-methoxyimino-3-phenyl-propanoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.220223097 u |
| Formula |
C22H31NO5 |
| InChI |
InChI=1S/C22H31NO5/c1-14(2)18-12-11-15(3)13-19(18)28-22(25)21(27-16(4)24)20(23-26-5)17-9-7-6-8-10-17/h6-10,14-15,18-19,21H,11-13H2,1-5H3/t15-,18+,19-,21?/m1/s1 |
| InChIKey |
SFUSANPOFCKDOY-HTIQXOTJSA-N |
| Instrument Name |
SHIMADZU Model GCMS-QP 505/Waters LCT Premier |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800292 |
| Molecular Weight |
389.492 g/mol |
| Quality |
69 |
| Reported Formula |
C22H31NO5 |
| SMILES |
C1=CC(=CC=C1)C(=NOC)C(C(=O)O[C@@]1(C[C@@](CC[C@]1(C(C)C)[H])(C)[H])[H])OC(C)=O |
| SPLASH |
splash10-001i-9610000000-699c053c913ef82737d1 |
| Sample Comments |
Mixture of stereoisomers = 1:1 |
| Source of Spectrum |
K1-2018-2844-9 (DOI: 10.1002/ejoc.201800292) |
| Thin-Layer Chromatography |
0.4 (hexane/ethyl acetate, 9:1) |
| Wiley ID |
1891677 |
![(E/Z)-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-2-acetoxy-3-methoxyimino-3-phenyl-propanoate](/api/spectrum/62sg8SxroDe/structure.png?h=300&w=458 "(E/Z)-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-2-acetoxy-3-methoxyimino-3-phenyl-propanoate")
