| SpectraBase Spectrum ID |
IgVxE9rhhBZ |
| Name |
2-[(S)-[(1S)-2-ketocyclohexyl]-phenyl-methyl]malonic acid dimethyl ester |
| Alternate Name(s) |
2-[(S)-[(1S)-2-oxocyclohexyl]-phenylmethyl]propanedioic acid dimethyl ester
dimethyl 2-[(S)-[(1S)-2-oxidanylidenecyclohexyl]-phenyl-methyl]propanedioate
dimethyl 2-[(S)-[(1S)-2-oxocyclohexyl]-phenyl-methyl]propanedioate |
| CAS Registry Number |
86661-23-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22O5 |
| InChI |
InChI=1S/C18H22O5/c1-22-17(20)16(18(21)23-2)15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)19/h3-5,8-9,13,15-16H,6-7,10-11H2,1-2H3/t13-,15+/m1/s1 |
| InChIKey |
ZMWVSJFPBZSFFZ-HIFRSBDPSA-N |
| Molecular Weight |
318.369 g/mol |
| SMILES |
C([C@]([C@]1(C(=O)CCCC1)[H])(c1ccccc1)[H])(C(=O)OC)C(=O)OC |
| SPLASH |
splash10-000i-0900000000-8961a0c8724c0951cedd |
| Source of Spectrum |
K-116-2256-0 |
| Wiley ID |
1318511 |
![2-[(S)-[(1S)-2-ketocyclohexyl]-phenyl-methyl]malonic acid dimethyl ester](/api/spectrum/IgVxE9rhhBZ/structure.png?h=300&w=458 "2-[(S)-[(1S)-2-ketocyclohexyl]-phenyl-methyl]malonic acid dimethyl ester")
