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Salmeterol, N-TFA, O,O',O''-tris-TMS
SpectraBase Compound ID DWsor0CUFgZ
InChI InChI=1S/C36H60F3NO5Si3/c1-46(2,3)43-29-32-27-31(22-23-33(32)44-47(4,5)6)34(45-48(7,8)9)28-40(35(41)36(37,38)39)24-16-10-11-17-25-42-26-18-15-21-30-19-13-12-14-20-30/h12-14,19-20,22-23,27,34H,10-11,15-18,21,24-26,28-29H2,1-9H3
InChIKey VKNNZPKYMRDFEX-UHFFFAOYSA-N
Mol Weight 728.1 g/mol
Molecular Formula C36H60F3NO5Si3
Exact Mass 727.373138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bf5cDauRy8
Name Salmeterol, N-TFA, O,O',O''-tris-TMS
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 727.373138125 u
Formula C36H60F3NO5Si3
InChI InChI=1S/C36H60F3NO5Si3/c1-46(2,3)43-29-32-27-31(22-23-33(32)44-47(4,5)6)34(45-48(7,8)9)28-40(35(41)36(37,38)39)24-16-10-11-17-25-42-26-18-15-21-30-19-13-12-14-20-30/h12-14,19-20,22-23,27,34H,10-11,15-18,21,24-26,28-29H2,1-9H3
InChIKey VKNNZPKYMRDFEX-UHFFFAOYSA-N
Molecular Weight 728.128 g/mol
Nominal Mass 727 u
Number of Peaks 23
SMILES C(F)(F)(C(N(CC(c1ccc(O[Si](C)(C)C)c(CO[Si](C)(C)C)c1)O[Si](C)(C)C)CCCCCCOCCCCc1ccccc1)=O)F
SPLASH splash10-01b9-0009000000-c3eaa127d908958bcfe1
Source File Reference DSHS_50_1236
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Wiley ID 50_1236