| SpectraBase Spectrum ID |
DiN7Tqs33Zk |
| Name |
anti-(+)-(2R,1'S)-2-[Hydroxy(3,5-bis(trifluoromehyl)phenyl)methyl]cycloheptanone |
| Alternate Name(s) |
(2R)-2-[(S)-[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]-1-cycloheptanone
(2R)-2-[(S)-[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]cycloheptan-1-one
(2R)-2-[(S)-[3,5-bis(trifluoromethyl)phenyl]-oxidanyl-methyl]cycloheptan-1-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16F6O2 |
| InChI |
InChI=1S/C16H16F6O2/c17-15(18,19)10-6-9(7-11(8-10)16(20,21)22)14(24)12-4-2-1-3-5-13(12)23/h6-8,12,14,24H,1-5H2/t12-,14+/m0/s1 |
| InChIKey |
RZCNAEJISXBJCR-GXTWGEPZSA-N |
| Molecular Weight |
354.292 g/mol |
| SMILES |
O[C@@]([C@@]1(C(=O)CCCCC1)[H])(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[H] |
| SPLASH |
splash10-03di-0900000000-74c2cea3b84213f6b7df |
| Source of Spectrum |
F-54-10400-0 |
| Wiley ID |
808500 |
![anti-(+)-(2R,1'S)-2-[Hydroxy(3,5-bis(trifluoromehyl)phenyl)methyl]cycloheptanone](/api/spectrum/DiN7Tqs33Zk/structure.png?h=300&w=458 "anti-(+)-(2R,1'S)-2-[Hydroxy(3,5-bis(trifluoromehyl)phenyl)methyl]cycloheptanone")
