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Dobutamine 4TMS
SpectraBase Compound ID 8BzU6PkExrE
InChI InChI=1S/C30H55NO3Si4/c1-25(14-15-26-16-19-28(20-17-26)32-36(5,6)7)31(35(2,3)4)23-22-27-18-21-29(33-37(8,9)10)30(24-27)34-38(11,12)13/h16-21,24-25H,14-15,22-23H2,1-13H3
InChIKey PPPSNYIHKJWVDB-UHFFFAOYSA-N
Mol Weight 590.1 g/mol
Molecular Formula C30H55NO3Si4
Exact Mass 589.325901 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ELM7XyPgYl
Name Dobutamine 4TMS
Classification Sympathomimetic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 589.325900772 u
Formula C30H55NO3Si4
InChI InChI=1S/C30H55NO3Si4/c1-25(14-15-26-16-19-28(20-17-26)32-36(5,6)7)31(35(2,3)4)23-22-27-18-21-29(33-37(8,9)10)30(24-27)34-38(11,12)13/h16-21,24-25H,14-15,22-23H2,1-13H3
InChIKey PPPSNYIHKJWVDB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 590.114 g/mol
SMILES c1(c(O[Si](C)(C)C)ccc(c1)CCN([Si](C)(C)C)C(CCc1ccc(O[Si](C)(C)C)cc1)C)O[Si](C)(C)C
SPLASH splash10-00e9-5913000000-fe70ff592c862333f0e7
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_4541