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Albuterol, O,O',O''-tris-TBS
SpectraBase Compound ID EpQnxkKYS5c
InChI InChI=1S/C31H63NO3Si3/c1-28(2,3)32-22-27(35-38(17,18)31(10,11)12)24-19-20-26(34-37(15,16)30(7,8)9)25(21-24)23-33-36(13,14)29(4,5)6/h19-21,27,32H,22-23H2,1-18H3
InChIKey GNUDQHDRMQWWBV-UHFFFAOYSA-N
Mol Weight 582.1 g/mol
Molecular Formula C31H63NO3Si3
Exact Mass 581.411574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7vak51ZGfi
Name Albuterol, O,O',O''-tris-TBS
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 581.411574495 u
Formula C31H63NO3Si3
InChI InChI=1S/C31H63NO3Si3/c1-28(2,3)32-22-27(35-38(17,18)31(10,11)12)24-19-20-26(34-37(15,16)30(7,8)9)25(21-24)23-33-36(13,14)29(4,5)6/h19-21,27,32H,22-23H2,1-18H3
InChIKey GNUDQHDRMQWWBV-UHFFFAOYSA-N
Molecular Weight 582.104 g/mol
Nominal Mass 581 u
Number of Peaks 19
SMILES N(C(C)(C)C)CC(c1ccc(O[Si](C(C)(C)C)(C)C)c(c1)CO[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
SPLASH splash10-0002-1000900000-2de978ff9477aca94ee9
Source File Reference DSHS_50_0923
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Synonyms Salbutamol, O,O',O''-tris-TBS
Wiley ID 50_923