| SpectraBase Spectrum ID |
GD6fybXpgXP |
| Name |
2,2'-Methylenediphenol, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
592.035553080 u |
| Formula |
C21H10F14O4 |
| InChI |
InChI=1S/C21H10F14O4/c22-16(23,18(26,27)20(30,31)32)14(36)38-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)39-15(37)17(24,25)19(28,29)21(33,34)35/h1-8H,9H2 |
| InChIKey |
XPLROBUMJJUZPX-UHFFFAOYSA-N |
| Molecular Weight |
592.285 g/mol |
| SMILES |
C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=CC=C1)CC1=C(C=CC=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978777 |
