For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-Hydroxymandelonitrile, 1TMS
SpectraBase Compound ID J9Akm6xw5pv
InChI InChI=1S/C11H15NO2Si/c1-15(2,3)14-10-6-4-9(5-7-10)11(13)8-12/h4-7,11,13H,1-3H3
InChIKey BJTOIOKUBSSNPC-UHFFFAOYSA-N
Mol Weight 221.33 g/mol
Molecular Formula C11H15NO2Si
Exact Mass 221.087205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3ItkIeLpvmJ
Name 4-Hydroxymandelonitrile, 1TMS
Comments Derivatization type: 1 TMS (mass: 221.087); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000259; Note: The molecular formula of the structure shown is C8H7NO2 - which differs from the formula reported for the mass spectrum (C11H15NO2Si)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO2Si
InChI InChI=1S/C11H15NO2Si/c1-15(2,3)14-10-6-4-9(5-7-10)11(13)8-12/h4-7,11,13H,1-3H3
InChIKey BJTOIOKUBSSNPC-UHFFFAOYSA-N
Molecular Weight 221.331 g/mol
SMILES OC(C#N)c1ccc(cc1)O[Si](C)(C)C
SPLASH splash10-00b9-2930000000-8f0f075d758137b8af9e
Source of Spectrum FM-2019-259-0
Synonyms 4-Hydroxymandelonitrile, 1TMS para-Hydroxymandelonitrile, 1TMS CHEBI:18115, 1TMS alpha,4-Dihydroxybenzeneacetonitrile, 1TMS Hydroxy(4-hydroxyphenyl)acetonitrile, 1TMS C00650, 1TMS 2-Hydroxy-2-(4-hydroxyphenyl)acetonitrile, 1TMS 2-Hydroxy-2-(4-((trimethylsilyl)oxy)phenyl)acetonitrile
Wiley ID 1817948