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Cimaterol, N,N'-diacetyl, O-TBS
SpectraBase Compound ID JaHX36iRAcZ
InChI InChI=1S/C22H35N3O3Si/c1-15(2)25(17(4)27)14-21(28-29(8,9)22(5,6)7)18-10-11-20(24-16(3)26)19(12-18)13-23/h10-12,15,21H,14H2,1-9H3,(H,24,26)
InChIKey GYDNFQGFLRGYTN-UHFFFAOYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C22H35N3O3Si
Exact Mass 417.244769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Du30kMZFOCv
Name Cimaterol, N,N'-diacetyl, O-TBS
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 417.244768531 u
Formula C22H35N3O3Si
InChI InChI=1S/C22H35N3O3Si/c1-15(2)25(17(4)27)14-21(28-29(8,9)22(5,6)7)18-10-11-20(24-16(3)26)19(12-18)13-23/h10-12,15,21H,14H2,1-9H3,(H,24,26)
InChIKey GYDNFQGFLRGYTN-UHFFFAOYSA-N
Molecular Weight 417.625 g/mol
Nominal Mass 417 u
Number of Peaks 44
SMILES N(c1c(cc(cc1)C(O[Si](C(C)(C)C)(C)C)CN(C(C)C)C(=O)C)C#N)C(C)=O
SPLASH splash10-0udi-3129000000-0ebfcbd2358496a3c423
Source File Reference DSHS_50_0888
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Wiley ID 50_888