| SpectraBase Spectrum ID |
5ffUhV4n1kS |
| Name |
Nordihydroguaiaretic acid, tetra(trifluoroacetate) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
686.081005488 u |
| Formula |
C26H18F12O8 |
| InChI |
InChI=1S/C26H18F12O8/c1-11(7-13-3-5-15(43-19(39)23(27,28)29)17(9-13)45-21(41)25(33,34)35)12(2)8-14-4-6-16(44-20(40)24(30,31)32)18(10-14)46-22(42)26(36,37)38/h3-6,9-12H,7-8H2,1-2H3 |
| InChIKey |
RCDLDBFSXLCUSM-UHFFFAOYSA-N |
| Molecular Weight |
686.403 g/mol |
| SMILES |
C(CC1=CC(OC(=O)C(F)(F)F)=C(C=C1)OC(C(F)(F)F)=O)(C(CC1=CC(OC(C(F)(F)F)=O)=C(C=C1)OC(C(F)(F)F)=O)C)C |
