![Methyl (2RS)-3-(2-iodophenyl)-2-[(1SR)-2-oxocyclohexyl]propanoate](/api/spectrum/4ctNKHwFgtG/structure.png?h=300&w=458 "Methyl (2RS)-3-(2-iodophenyl)-2-[(1SR)-2-oxocyclohexyl]propanoate")
| SpectraBase Compound ID | FksGUrVKbHB |
|---|---|
| InChI | InChI=1S/C16H19IO3/c1-20-16(19)13(12-7-3-5-9-15(12)18)10-11-6-2-4-8-14(11)17/h2,4,6,8,12-13H,3,5,7,9-10H2,1H3/t12-,13+/m0/s1 |
| InChIKey | CLMYTHGPIIUFJE-QWHCGFSZSA-N |
| Mol Weight | 386.23 g/mol |
| Molecular Formula | C16H19IO3 |
| Exact Mass | 386.037889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4ctNKHwFgtG |
|---|---|
| Name | Methyl (2RS)-3-(2-iodophenyl)-2-[(1SR)-2-oxocyclohexyl]propanoate |
| Appearance | Colourless crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H19IO3 |
| InChI | InChI=1S/C16H19IO3/c1-20-16(19)13(12-7-3-5-9-15(12)18)10-11-6-2-4-8-14(11)17/h2,4,6,8,12-13H,3,5,7,9-10H2,1H3/t12-,13+/m0/s1 |
| InChIKey | CLMYTHGPIIUFJE-QWHCGFSZSA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.3762/bjoc.6.141 |
| Molecular Weight | 386.229 g/mol |
| SMILES | c1(c(cccc1)C[C@]([C@@]1(CCCCC1=O)[H])(C(=O)OC)[H])I |
| SPLASH | splash10-0002-9021000000-6c3660fed3791fec9dc4 |
| Source of Spectrum | BJO-6-SM7-SP8a |
| Wiley ID | 1871716 |