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(S)-7-(N-Benzyl-N-trifluoromethanesulfonamido)-5-hydroxyheptyl pivalate
SpectraBase Compound ID J7MK9Q7D5Io
InChI InChI=1S/C20H30F3NO5S/c1-19(2,3)18(26)29-14-8-7-11-17(25)12-13-24(30(27,28)20(21,22)23)15-16-9-5-4-6-10-16/h4-6,9-10,17,25H,7-8,11-15H2,1-3H3/t17-/m0/s1
InChIKey ONUBHUPHTCWDIG-KRWDZBQOSA-N
Mol Weight 453.52 g/mol
Molecular Formula C20H30F3NO5S
Exact Mass 453.179679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZiZPdiD6c2
Name (S)-7-(N-Benzyl-N-trifluoromethanesulfonamido)-5-hydroxyheptyl pivalate
Alternate Name(s) (5S)-7-{benzyl[(trifluoromethyl)sulfonyl]amino}-5-hydroxyheptyl pivalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30F3NO5S
InChI InChI=1S/C20H30F3NO5S/c1-19(2,3)18(26)29-14-8-7-11-17(25)12-13-24(30(27,28)20(21,22)23)15-16-9-5-4-6-10-16/h4-6,9-10,17,25H,7-8,11-15H2,1-3H3/t17-/m0/s1
InChIKey ONUBHUPHTCWDIG-KRWDZBQOSA-N
Molecular Weight 453.517 g/mol
SMILES O[C@](CCN(S(C(F)(F)F)(=O)=O)Cc1ccccc1)(CCCCOC(C(C)(C)C)=O)[H]
SPLASH splash10-052f-9001000000-5212bc48929fa03960c6
Source of Spectrum F-54-6396-7
Wiley ID 807205