SpectraBase Compound ID | DPQAKS4RFx6 |
---|---|
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-/m1/s1 |
InChIKey | CLMYTHGPIIUFJE-CHWSQXEVSA-N |
Mol Weight | 386.23 g/mol |
Molecular Formula | C16H19IO3 |
Exact Mass | 386.037889 g/mol |
SpectraBase Spectrum ID | 1wj8rKHwpTQ |
---|---|
Name | methyl (2RS)-3-(2-iodophenyl)-2-[(1RS)-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-/m1/s1 |
InChIKey | CLMYTHGPIIUFJE-CHWSQXEVSA-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 | splash10-0002-9030000000-626ebc869cd868fe97e9 |
Source of Spectrum | BJO-6-SM7-SP8b |
Wiley ID | 1871717 |