| SpectraBase Spectrum ID |
3fFURvayhyg |
| Name |
(R)-2,2-Bis(prop-2-yn-1-yl)cyclohexanone-3-MTPA ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21F3O4 |
| InChI |
InChI=1S/C22H21F3O4/c1-4-14-20(15-5-2)17(26)12-9-13-18(20)29-19(27)21(28-3,22(23,24)25)16-10-7-6-8-11-16/h1-2,6-8,10-11,18H,9,12-15H2,3H3/t18-,21-/m0/s1 |
| InChIKey |
PQSJQUVCMHGBFM-RXVVDRJESA-N |
| Molecular Weight |
406.401 g/mol |
| SMILES |
[C@](C(O[C@@]1(C(C(=O)CCC1)(CC#C)CC#C)[H])=O)(C(F)(F)F)(c1ccccc1)OC |
| SPLASH |
splash10-000i-0900000000-04bd6a0837d764d8450e |
| Source of Spectrum |
KD-12-231-11 |
| Wiley ID |
1634152 |
