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Quinine, mono-TMS
SpectraBase Compound ID IDM4fLtrxwt
InChI InChI=1S/C23H32N2O2Si/c1-6-16-15-25-12-10-17(16)13-22(25)23(27-28(3,4)5)19-9-11-24-21-8-7-18(26-2)14-20(19)21/h6-9,11,14,16-17,22-23H,1,10,12-13,15H2,2-5H3/t16-,17+,22+,23?/m0/s1
InChIKey UKECXMWGKYEZPW-NVEIZHKASA-N
Mol Weight 396.6 g/mol
Molecular Formula C23H32N2O2Si
Exact Mass 396.223305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qnpuF7fakS
Name Quinine, mono-TMS
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 396.223304811 u
Formula C23H32N2O2Si
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C23H32N2O2Si/c1-6-16-15-25-12-10-17(16)13-22(25)23(27-28(3,4)5)19-9-11-24-21-8-7-18(26-2)14-20(19)21/h6-9,11,14,16-17,22-23H,1,10,12-13,15H2,2-5H3/t16-,17+,22+,23?/m0/s1
InChIKey UKECXMWGKYEZPW-NVEIZHKASA-N
Molecular Weight 396.606 g/mol
Nominal Mass 396 u
Number of Peaks 316
SMILES c1c2c(ccc1OC)nccc2C([C@]1(C[C@@]2([C@](CN1CC2)(C=C)[H])[H])[H])O[Si](C)(C)C
SPLASH splash10-000i-4910000000-c2cf84e714ccf5c6a98f
Source Sigma-Aldrich
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001539