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(2R*,4R* / 4S*,6S*)-2-Ethoxy-6-methyl-4-(perfluorobutyl)-tetrahydropyran-3-one
SpectraBase Compound ID ADatQz3ijYV
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+/m0/s1
InChIKey LUUHAYJGQUCVMP-VMHSAVOQSA-N
Mol Weight 376.22 g/mol
Molecular Formula C12H13F9O3
Exact Mass 376.072098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzvErOk3zCK
Name (2R*,4R* / 4S*,6S*)-2-Ethoxy-6-methyl-4-(perfluorobutyl)-tetrahydropyran-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+/m0/s1
InChIKey LUUHAYJGQUCVMP-VMHSAVOQSA-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 splash10-02t9-2595000000-9c0202d93a88b95a148b
Source of Spectrum U1-2009-5826-(6S)-12b/I
Wiley ID 1697384