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Amphethamine glucoside 4TMS
SpectraBase Compound ID KZKRNYkXavI
InChI InChI=1S/C27H55NO5Si4/c1-21(19-22-17-15-14-16-18-22)28-27-26(33-37(11,12)13)25(32-36(8,9)10)24(31-35(5,6)7)23(30-27)20-29-34(2,3)4/h14-18,21,23-28H,19-20H2,1-13H3/t21?,23-,24-,25+,26-,27+/m1/s1
InChIKey PCKGHLIBKKQELA-HDWIHQJUSA-N
Mol Weight 586.1 g/mol
Molecular Formula C27H55NO5Si4
Exact Mass 585.31573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1Tsvy14FXM
Name Amphethamine glucoside 4TMS
Classification Drug glucuronide
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 585.315730010 u
Formula C27H55NO5Si4
InChI InChI=1S/C27H55NO5Si4/c1-21(19-22-17-15-14-16-18-22)28-27-26(33-37(11,12)13)25(32-36(8,9)10)24(31-35(5,6)7)23(30-27)20-29-34(2,3)4/h14-18,21,23-28H,19-20H2,1-13H3/t21?,23-,24-,25+,26-,27+/m1/s1
InChIKey PCKGHLIBKKQELA-HDWIHQJUSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 586.079 g/mol
Nominal Mass 585 u
Quality 991
Retention Index 4116
SMILES [C@@]1([C@]([C@@]([C@](O[C@@]1(NC(CC1=CC=CC=C1)C)[H])(CO[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H]
SPLASH splash10-0609-5593500000-44a3aa6fb243472aa31f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(1-phenylpropan-2-yl)-3,4,5-tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)oxan-2-amine
Technique GC/MS
Wiley ID DD2024_018804