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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 6tM9L2peNQr
Name 2,2,2-Trifluoro-N-[6-(4-phenylbutoxy)hexyl]-N-[2-[(trimethylsilyl)oxy]-2-(4-[(trimethylsilyl)oxy]-3-([(trimethylsilyl)oxy]methyl)phenyl)ethyl]acetamide
Alternate Name(s) Salmeterol, N-trifluoroacetyl-o,o,o-tris(trimethylsilyl)deriv. 2,2,2-tris(fluoranyl)-N-[6-(4-phenylbutoxy)hexyl]-N-[2-trimethylsilyloxy-2-[4-trimethylsilyloxy-3-(trimethylsilyloxymethyl)phenyl]ethyl]ethanamide
CAS Registry Number 325837-00-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES c1(ccccc1)CCCCOCCCCCCN(CC(c1cc(CO[Si](C)(C)C)c(cc1)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(F)(F)F
SPLASH splash10-01b9-2009000000-da6bae1b17fffcf0c54d
Source of Spectrum NP-16-2564-0
Wiley ID 1113341