| SpectraBase Spectrum ID |
HBKhzOB6d9I |
| Name |
Anti-1,1,2,2,11,11,12,12-octafluoro[2.2]-(1,4)naphthalenophane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.081125690 u |
| Formula |
C24H12F8 |
| InChI |
InChI=1S/C24H12F8/c25-21(26)17-9-10-18(14-6-2-1-5-13(14)17)22(27,28)24(31,32)20-12-11-19(23(21,29)30)15-7-3-4-8-16(15)20/h1-12H |
| InChIKey |
NVIAKSOKFXDBJS-UHFFFAOYSA-N |
| Molecular Weight |
452.347 g/mol |
| SMILES |
C1(C(C2=C3C(C=CC=C3)=C(C=C2)C(C(C2=CC=C1C=1C2=CC=CC1)(F)F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810785 |
![Anti-1,1,2,2,11,11,12,12-octafluoro[2.2]-(1,4)naphthalenophane](/api/spectrum/HBKhzOB6d9I/structure.png?h=300&w=458 "Anti-1,1,2,2,11,11,12,12-octafluoro[2.2]-(1,4)naphthalenophane")
