| SpectraBase Spectrum ID |
1mKE7jyzpY |
| Name |
N-[2-[(5S,6S)-5-Hydroxy-6-(4-nitro-benzoyloxy)-1-cyclohexen-1-yl]ethyl]-N-methylcarbamic acid 1,1-dimethylethyl ester |
| Alternate Name(s) |
4-Nitrobenzoic acid [(1S,6S)-6-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-1-cyclohex-2-enyl] ester
[(1S,6S)-6-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohex-2-en-1-yl] 4-nitrobenzoate
[(1S,6S)-2-[2-[tert-butoxycarbonyl(methyl)amino]ethyl]-6-hydroxy-cyclohex-2-en-1-yl] 4-nitrobenzoate
[(1S,6S)-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-6-oxidanyl-cyclohex-2-en-1-yl] 4-nitrobenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28N2O7 |
| InChI |
InChI=1S/C21H28N2O7/c1-21(2,3)30-20(26)22(4)13-12-14-6-5-7-17(24)18(14)29-19(25)15-8-10-16(11-9-15)23(27)28/h6,8-11,17-18,24H,5,7,12-13H2,1-4H3/t17-,18-/m0/s1 |
| InChIKey |
YEFZPMOOIBAZMU-ROUUACIJSA-N |
| Molecular Weight |
420.462 g/mol |
| SMILES |
O[C@@]1([C@@](OC(c2ccc(N(=O)=O)cc2)=O)(C(CCN(C(OC(C)(C)C)=O)C)=CCC1)[H])[H] |
| SPLASH |
splash10-052f-9400000000-204b878772b03fc2ba8c |
| Source of Spectrum |
F-65-9872-42 |
| Wiley ID |
1678847 |
![N-[2-[(5S,6S)-5-Hydroxy-6-(4-nitro-benzoyloxy)-1-cyclohexen-1-yl]ethyl]-N-methylcarbamic acid 1,1-dimethylethyl ester](/api/spectrum/1mKE7jyzpY/structure.png?h=300&w=458 "N-[2-[(5S,6S)-5-Hydroxy-6-(4-nitro-benzoyloxy)-1-cyclohexen-1-yl]ethyl]-N-methylcarbamic acid 1,1-dimethylethyl ester")
