| SpectraBase Spectrum ID |
37OdkEDK5cg |
| Name |
Butanoic acid, heptafluoro-, 7-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)methyl]-2,3,5,7A-tetrahydro -1H-pyrrolizin-1-yl ester, (1R-trans)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
547.046452116 u |
| Formula |
C16H11F14NO4 |
| InChI |
InChI=1S/C16H11F14NO4/c17-11(18,13(21,22)15(25,26)27)9(32)34-5-6-1-3-31-4-2-7(8(6)31)35-10(33)12(19,20)14(23,24)16(28,29)30/h1,7-8H,2-5H2/t7-,8-/m1/s1 |
| InChIKey |
RNKAXSWHRORIGY-HTQZYQBOSA-N |
| Molecular Weight |
547.245 g/mol |
| SMILES |
C(C(C(O[C@]1([C@]2(C(=CCN2CC1)COC(C(C(C(F)(F)F)(F)F)(F)F)=O)[H])[H])=O)(F)F)(C(F)(F)F)(F)F |
![Butanoic acid, heptafluoro-, 7-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)methyl]-2,3,5,7a-tetrahydro -1H-pyrrolizin-1-yl ester, (1R-trans)-](/api/spectrum/37OdkEDK5cg/structure.png?h=300&w=458 "Butanoic acid, heptafluoro-, 7-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)methyl]-2,3,5,7a-tetrahydro -1H-pyrrolizin-1-yl ester, (1R-trans)-")
