| SpectraBase Compound ID | 10eXPMuRswS |
|---|---|
| InChI | InChI=1S/C21H28F2O2/c1-15(8-7-9-16(2)14-19(24)25-6)10-11-18-17(3)21(22,23)13-12-20(18,4)5/h7-11,14H,12-13H2,1-6H3/b9-7+,11-10+,15-8+,16-14+ |
| InChIKey | UAZBUEJPRURUQL-XPSLGPGOSA-N |
| Mol Weight | 350.45 g/mol |
| Molecular Formula | C21H28F2O2 |
| Exact Mass | 350.205736 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3LsAwfoEbkN |
|---|---|
| Name | Methyl 4,4-difluororetinoate (all-trans) |
| CAS Registry Number | 90660-19-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28F2O2 |
| InChI | InChI=1S/C21H28F2O2/c1-15(8-7-9-16(2)14-19(24)25-6)10-11-18-17(3)21(22,23)13-12-20(18,4)5/h7-11,14H,12-13H2,1-6H3/b9-7+,11-10+,15-8+,16-14+ |
| InChIKey | UAZBUEJPRURUQL-XPSLGPGOSA-N |
| Molecular Weight | 350.450 g/mol |
| SMILES | COC(=O)\C=C/(C)\C=C\C=C/(C)\C=C\C1=C(C)C(F)(F)CCC1(C)C |
| SPLASH | splash10-004i-3910000000-6883acfcda57c148cc79 |
| Source of Spectrum | W5-1989-36198-29338 |
| Synonyms | (2E,4E,6E,8E)-9-(3,3-difluoro-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid methyl ester (2E,4E,6E,8E)-9-(3,3-difluoro-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid methyl ester Methyl (2E,4E,6E,8E)-9-(3,3-difluoro-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate Methyl (2E,4E,6E,8E)-9-[3,3-bis(fluoranyl)-2,6,6-trimethyl-cyclohexen-1-yl]-3,7-dimethyl-nona-2,4,6,8-tetraenoate |
| Wiley ID | 1342112 |