| SpectraBase Spectrum ID |
2Zz9oLMkAZK |
| Name |
2-[(S)-(4-nitrophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioic acid dimethyl ester |
| Alternate Name(s) |
2-[(S)-[(1S)-2-ketocyclohexyl]-(4-nitrophenyl)methyl]malonic acid dimethyl ester
dimethyl 2-[(S)-(4-nitrophenyl)-[(1S)-2-oxidanylidenecyclohexyl]methyl]propanedioate
dimethyl 2-[(S)-(4-nitrophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioate |
| CAS Registry Number |
86661-25-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H21NO7 |
| InChI |
InChI=1S/C18H21NO7/c1-25-17(21)16(18(22)26-2)15(13-5-3-4-6-14(13)20)11-7-9-12(10-8-11)19(23)24/h7-10,13,15-16H,3-6H2,1-2H3/t13-,15+/m1/s1 |
| InChIKey |
UPOUTYGBZFBEIY-HIFRSBDPSA-N |
| Molecular Weight |
363.366 g/mol |
| SMILES |
C([C@]([C@]1(C(=O)CCCC1)[H])(c1ccc(N(=O)=O)cc1)[H])(C(=O)OC)C(=O)OC |
| SPLASH |
splash10-001i-0090000000-89423ac4ecb00c4eb4f8 |
| Source of Spectrum |
K-116-2256-0 |
| Wiley ID |
1350185 |
![2-[(S)-(4-nitrophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioic acid dimethyl ester](/api/spectrum/2Zz9oLMkAZK/structure.png?h=300&w=458 "2-[(S)-(4-nitrophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioic acid dimethyl ester")
