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Brassicasterol, mono-TMS
SpectraBase Compound ID EmQnqIn8RM9
InChI InChI=1S/C31H54OSi/c1-21(2)22(3)10-11-23(4)27-14-15-28-26-13-12-24-20-25(32-33(7,8)9)16-18-30(24,5)29(26)17-19-31(27,28)6/h10-12,21-23,25-29H,13-20H2,1-9H3/b11-10+
InChIKey OUZPLOOSCBQQGW-ZHACJKMWSA-N
Mol Weight 470.9 g/mol
Molecular Formula C31H54OSi
Exact Mass 470.394393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNmaVR68CEJ
Name Brassicasterol, 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 470.394392893 u
Formula C31H54OSi
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C31H54OSi/c1-21(2)22(3)10-11-23(4)27-14-15-28-26-13-12-24-20-25(32-33(7,8)9)16-18-30(24,5)29(26)17-19-31(27,28)6/h10-12,21-23,25-29H,13-20H2,1-9H3/b11-10+
InChIKey OUZPLOOSCBQQGW-ZHACJKMWSA-N
Molecular Weight 470.857 g/mol
Nominal Mass 470 u
Number of Peaks 446
SMILES C(C1CCC2C1(CCC1C2CC=C2C1(CCC(C2)O[Si](C)(C)C)C)C)(\C=C\C(C(C)C)C)C
SPLASH splash10-05r0-7932000000-cf8deeccf8b42f874269
Source Cayman Chemical
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001808