| SpectraBase Compound ID | HE522ZkyLG2 |
|---|---|
| InChI | InChI=1S/C12H13F9O3/c1-3-23-8-7(22)6(4-5(2)24-8)9(13,14)10(15,16)11(17,18)12(19,20)21/h5-6,8H,3-4H2,1-2H3/t5-,6+,8-/m1/s1 |
| InChIKey | LUUHAYJGQUCVMP-GKROBHDKSA-N |
| Mol Weight | 376.22 g/mol |
| Molecular Formula | C12H13F9O3 |
| Exact Mass | 376.072098 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9rYVa9WN7lV |
|---|---|
| Name | (2R*,4R* / 4S*,6R*)-2-Ethoxy-6-methyl-4-(perfluorobutyl)-tetrahydropyran-3-one |
| Alternate Name(s) | (2R,4S,6R)-2-ethoxy-6-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-oxanone (2R,4S,6R)-2-ethoxy-6-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxan-3-one (2R,4S,6R)-2-ethoxy-6-methyl-4-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butyl]oxan-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13F9O3 |
| InChI | InChI=1S/C12H13F9O3/c1-3-23-8-7(22)6(4-5(2)24-8)9(13,14)10(15,16)11(17,18)12(19,20)21/h5-6,8H,3-4H2,1-2H3/t5-,6+,8-/m1/s1 |
| InChIKey | LUUHAYJGQUCVMP-GKROBHDKSA-N |
| Molecular Weight | 376.219 g/mol |
| SMILES | C(C(C(F)(F)F)(F)F)(C([C@@]1(C([C@](OCC)(O[C@@](C1)(C)[H])[H])=O)[H])(F)F)(F)F |
| SPLASH | splash10-0ufr-4903000000-b428ac9ad55fd9f0ffed |
| Source of Spectrum | U1-2009-5826-(6R)-12b/I |
| Wiley ID | 1697385 |