| SpectraBase Spectrum ID |
LCMjQjuWPkx |
| Name |
2-(1-adamantyl)-2,2-difluoro-acetic acid methyl ester |
| Alternate Name(s) |
methyl 2-(1-adamantyl)-2,2-bis(fluoranyl)ethanoate
methyl 2-(1-adamantyl)-2,2-difluoro-acetate
2-(1-adamantyl)-2,2-difluoroacetic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18F2O2 |
| InChI |
InChI=1S/C13H18F2O2/c1-17-11(16)13(14,15)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3/t8-,9+,10-,12- |
| InChIKey |
YEHTUHUPOVGSCH-GOCCLTDMSA-N |
| Molecular Weight |
244.282 g/mol |
| SMILES |
C(C(F)(F)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])(=O)OC |
| SPLASH |
splash10-001i-0900000000-04a27259b0c073ad1ffa |
| Source of Spectrum |
F-51-1917-17 |
| Wiley ID |
790831 |
