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Orciprenaline, N,O-bis-TFA, O',O''-bis-TMS
SpectraBase Compound ID JYYJ8FLdjjP
InChI InChI=1S/C21H31F6NO5Si2/c1-13(2)28(18(29)20(22,23)24)12-17(33-35(6,7)8)14-9-15(31-19(30)21(25,26)27)11-16(10-14)32-34(3,4)5/h9-11,13,17H,12H2,1-8H3
InChIKey VJRVXHOJJDREAS-UHFFFAOYSA-N
Mol Weight 547.64 g/mol
Molecular Formula C21H31F6NO5Si2
Exact Mass 547.164495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qJnNvgiXgz
Name Orciprenaline, N,O-bis-TFA, O',O''-bis-TMS
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 547.164495145 u
Formula C21H31F6NO5Si2
InChI InChI=1S/C21H31F6NO5Si2/c1-13(2)28(18(29)20(22,23)24)12-17(33-35(6,7)8)14-9-15(31-19(30)21(25,26)27)11-16(10-14)32-34(3,4)5/h9-11,13,17H,12H2,1-8H3
InChIKey VJRVXHOJJDREAS-UHFFFAOYSA-N
Molecular Weight 547.641 g/mol
Nominal Mass 547 u
Number of Peaks 43
SMILES C(F)(F)(F)C(=O)Oc1cc(cc(c1)O[Si](C)(C)C)C(CN(C(C(F)(F)F)=O)C(C)C)O[Si](C)(C)C
SPLASH splash10-004i-1009000000-22094ce633c4ed10686c
Source File Reference DSHS_50_0598
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Wiley ID 50_598