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5-Hydroxytryptophane iso-butylester TMS/N-iIBCF
SpectraBase Compound ID BEKJjqYPtnV
InChI InChI=1S/C23H36N2O5Si/c1-15(2)13-28-22(26)20(24)10-17-12-25(23(27)29-14-16(3)4)21-9-8-18(11-19(17)21)30-31(5,6)7/h8-9,11-12,15-16,20H,10,13-14,24H2,1-7H3
InChIKey OAPRWYORTNZBNM-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C23H36N2O5Si
Exact Mass 448.239349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HEOIhfI9ui
Name 5-Hydroxytryptophane iso-butylester TMS/N-iIBCF
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 448.239348797 u
Formula C23H36N2O5Si
InChI InChI=1S/C23H36N2O5Si/c1-15(2)13-28-22(26)20(24)10-17-12-25(23(27)29-14-16(3)4)21-9-8-18(11-19(17)21)30-31(5,6)7/h8-9,11-12,15-16,20H,10,13-14,24H2,1-7H3
InChIKey OAPRWYORTNZBNM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 448.635 g/mol
Nominal Mass 448 u
Quality 965
Retention Index 2994
SMILES NC(CC=1C=2C(N(C1)C(OCC(C)C)=O)=CC=C(C2)O[Si](C)(C)C)C(OCC(C)C)=O
SPLASH splash10-014i-0090000000-5e66b62d1405bfa51308
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-methylpropyl 3-(2-amino-3-(2-methylpropoxy)-3-oxopropyl)-5-((trimethylsilyl)oxy)-1H-indole-\r1-carboxylate
Technique GC/MS
Wiley ID DD2024_001700