| SpectraBase Spectrum ID |
CR6CyOwHEah |
| Name |
3-Hydroxy-4-(trans-2-iodocyclohexyl)-1-methylquinolin-2(1H)-one |
| Alternate Name(s) |
3-hydroxy-4-[(1S,2R)-2-iodocyclohexyl]-1-methyl-2(1H)-quinolinone |
| CAS Registry Number |
137793-17-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18INO2 |
| InChI |
InChI=1S/C16H18INO2/c1-18-13-9-5-3-7-11(13)14(15(19)16(18)20)10-6-2-4-8-12(10)17/h3,5,7,9-10,12,19H,2,4,6,8H2,1H3/t10-,12-/m1/s1 |
| InChIKey |
YBYNLFNTVRWWNG-ZYHUDNBSSA-N |
| Molecular Weight |
383.229 g/mol |
| SMILES |
OC1=C(c2c(N(C)C1=O)cccc2)[C@]1([C@](I)(CCCC1)[H])[H] |
| SPLASH |
splash10-0a4i-0092000000-77fa1e6d54910b42226b |
| Source of Spectrum |
J-57-606-0 |
| Wiley ID |
1360977 |
