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Sofalcone, mono-TMS
SpectraBase Compound ID C043cC8CP5i
InChI InChI=1S/C30H38O6Si/c1-22(2)16-18-33-25-11-8-24(9-12-25)10-15-28(31)27-14-13-26(34-19-17-23(3)4)20-29(27)35-21-30(32)36-37(5,6)7/h8-17,20H,18-19,21H2,1-7H3/b15-10+
InChIKey VPTDJVYFBOWSEN-XNTDXEJSSA-N
Mol Weight 522.7 g/mol
Molecular Formula C30H38O6Si
Exact Mass 522.243765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoHNfP4Tf4j
Name Sofalcone, 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 522.243765473 u
Formula C30H38O6Si
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C30H38O6Si/c1-22(2)16-18-33-25-11-8-24(9-12-25)10-15-28(31)27-14-13-26(34-19-17-23(3)4)20-29(27)35-21-30(32)36-37(5,6)7/h8-17,20H,18-19,21H2,1-7H3/b15-10+
InChIKey VPTDJVYFBOWSEN-XNTDXEJSSA-N
Molecular Weight 522.713 g/mol
Nominal Mass 522 u
Number of Peaks 111
SMILES c1c(ccc(c1)\C=C\C(c1ccc(cc1OCC(O[Si](C)(C)C)=O)OCC=C(C)C)=O)OCC=C(C)C
SPLASH splash10-004u-0903000000-3215f7d05853369639dd
Source Cayman Chemical
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001469