| SpectraBase Spectrum ID |
It2ayRNXFQx |
| Name |
(1R,6S)-2-Chloro-6-hydroxycyclohex-2-enyl 4-nitrobenzoate |
| Appearance |
Dark yellow sticky gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12ClNO5 |
| InChI |
InChI=1S/C13H12ClNO5/c14-10-2-1-3-11(16)12(10)20-13(17)8-4-6-9(7-5-8)15(18)19/h2,4-7,11-12,16H,1,3H2/t11-,12-/m0/s1 |
| InChIKey |
CENWNXDMJIWYMZ-RYUDHWBXSA-N |
| Instrument Name |
AUTOSPEC or Kratos Analytical Concept ISQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0005.a07 |
| Optical Rotation |
[a]D = +133.3 (c = 0.5) |
| SMILES |
O[C@]1(CCC=C([C@@]1(OC(c1ccc(cc1)[N+]([O-])=O)=O)[H])Cl)[H] |
| SPLASH |
splash10-0udi-0920000000-9e357f3534467cdb7987 |
| Source of Spectrum |
ARK-2004-61-14 |
| Thin-Layer Chromatography |
Rf = 0.7 (diethyl ether) |
| Wiley ID |
1875776 |
