| SpectraBase Spectrum ID |
8p9hB1i3l18 |
| Name |
cis and trans-Diethyl 4-(tridecafluoroheptyl)-3-benzylcyclopentane-1,1-dicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H25F13O4 |
| InChI |
InChI=1S/C25H25F13O4/c1-3-41-17(39)19(18(40)42-4-2)11-15(10-14-8-6-5-7-9-14)16(12-19)13-20(26,27)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38/h5-9,15-16H,3-4,10-13H2,1-2H3 |
| InChIKey |
SWRMFPMFPNOVOG-UHFFFAOYSA-N |
| Molecular Weight |
636.450 g/mol |
| SMILES |
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(CC1CC(C(=O)OCC)(C(=O)OCC)CC1Cc1ccccc1)(F)F)(F)F)(F)F |
| SPLASH |
splash10-000i-0000039000-0681fb379dc972c9c978 |
| Source of Spectrum |
KC-0-1731-4 |
| Wiley ID |
784050 |
