| SpectraBase Spectrum ID |
9bUj2wJQvIc |
| Name |
(1R,2R)-2-(Vinyloxy)cyclohexyl 4-nitrobenzoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.110672646 u |
| Formula |
C15H17NO5 |
| InChI |
InChI=1S/C15H17NO5/c1-2-20-13-5-3-4-6-14(13)21-15(17)11-7-9-12(10-8-11)16(18)19/h2,7-10,13-14H,1,3-6H2/t13-,14-/m1/s1 |
| InChIKey |
VIWBOCIFENUNBJ-ZIAGYGMSSA-N |
| Instrument Name |
Thermo Finnigan TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202114044 |
| Optical Rotation |
[a]D23 = -51.5 (c = 0.74, CHCl3) |
| Quality |
262 |
| Reported Formula |
C15H17NO5 |
| SMILES |
[C@]1([C@@](CCCC1)(OC(C1=CC=C(C=C1)[N+]([O-])=O)=O)[H])(OC=C)[H] |
| SPLASH |
splash10-004i-1190000000-f593008c28f04c586986 |
| Sample Comments |
92% ee |
| Source of Spectrum |
ACI-61-SM24-(R,R)-6 (DOI: 10.1002/anie.202114044) |
| Thin-Layer Chromatography |
0.4 (n-pentane/EtOAc, 4:1,1% (V/V) NEt3) |
| Wiley ID |
1897705 |
