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N,2(6)-Methylene-isoprenaline, O,O',O''-tris-TMS 2.isomer
SpectraBase Compound ID Bj9Ikp2atre
InChI InChI=1S/C21H41NO3Si3/c1-16(2)22-14-17-12-19(23-26(3,4)5)20(24-27(6,7)8)13-18(17)21(15-22)25-28(9,10)11/h12-13,16,21H,14-15H2,1-11H3
InChIKey VFUVFLZBUJFWJH-UHFFFAOYSA-N
Mol Weight 439.8 g/mol
Molecular Formula C21H41NO3Si3
Exact Mass 439.239424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yFv6WxMk4h
Name N,2(6)-Methylene-isoprenaline, O,O',O''-tris-TMS 2.isomer
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 439.239423786 u
Formula C21H41NO3Si3
InChI InChI=1S/C21H41NO3Si3/c1-16(2)22-14-17-12-19(23-26(3,4)5)20(24-27(6,7)8)13-18(17)21(15-22)25-28(9,10)11/h12-13,16,21H,14-15H2,1-11H3
InChIKey VFUVFLZBUJFWJH-UHFFFAOYSA-N
Molecular Weight 439.818 g/mol
Nominal Mass 439 u
Number of Peaks 44
SMILES C[Si](C)(C)Oc1c(cc2c(C(CN(C2)C(C)C)O[Si](C)(C)C)c1)O[Si](C)(C)C
SPLASH splash10-014i-1029000000-d1c1faa07d9edb78d91c
Source File Reference DSHS_50_1238
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Wiley ID 50_1238