| SpectraBase Spectrum ID |
Bf5J9nTjaC9 |
| Name |
(3S,4S)-3-(5-chloro-2,2,3,3,4,4,5,5-octafluoro-pentyl)-4-methyl-cyclopentane-1,1-dicarboxylic acid diethyl ester |
| Alternate Name(s) |
diethyl (3S,4S)-3-(5-chloro-2,2,3,3,4,4,5,5-octafluoro-pentyl)-4-methyl-cyclopentane-1,1-dicarboxylate
diethyl (3S,4S)-3-[5-chloranyl-2,2,3,3,4,4,5,5-octakis(fluoranyl)pentyl]-4-methyl-cyclopentane-1,1-dicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21ClF8O4 |
| InChI |
InChI=1S/C17H21ClF8O4/c1-4-29-11(27)13(12(28)30-5-2)6-9(3)10(7-13)8-14(19,20)15(21,22)16(23,24)17(18,25)26/h9-10H,4-8H2,1-3H3/t9-,10+/m1/s1 |
| InChIKey |
ZQERDDLDBBXXTK-ZJUUUORDSA-N |
| Molecular Weight |
476.791 g/mol |
| SMILES |
C(C(C(Cl)(F)F)(F)F)(C(C[C@@]1(CC(C(=O)OCC)(C(=O)OCC)C[C@]1(C)[H])[H])(F)F)(F)F |
| SPLASH |
splash10-002f-0090800000-ac14410c3b45fad06c21 |
| Source of Spectrum |
KC-0-1731-4 |
| Wiley ID |
784054 |
