| SpectraBase Spectrum ID |
AxZJPlRGUog |
| Name |
2',6'-Dihydroxy 4'-methoxydihydrochalcone, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
664.056682447 u |
| Formula |
C24H14F14O6 |
| InChI |
InChI=1S/C24H14F14O6/c1-42-12-9-14(43-17(40)19(25,26)21(29,30)23(33,34)35)16(13(39)8-7-11-5-3-2-4-6-11)15(10-12)44-18(41)20(27,28)22(31,32)24(36,37)38/h2-6,9-10H,7-8H2,1H3 |
| InChIKey |
QMWUZLRDQYDQMJ-UHFFFAOYSA-N |
| Molecular Weight |
664.348 g/mol |
| SMILES |
C(CCC1=CC=CC=C1)(=O)C1=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=C(C=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951632 |
