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Octacosyl p-coumarate, mono-TMS
SpectraBase Compound ID JoyCaha3A2E
InChI InChI=1S/C40H72O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-37-42-40(41)36-33-38-31-34-39(35-32-38)43-44(2,3)4/h31-36H,5-30,37H2,1-4H3/b36-33+
InChIKey HZICVSFLABOQBC-PKUSAGTQSA-N
Mol Weight 629.1 g/mol
Molecular Formula C40H72O3Si
Exact Mass 628.525073 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWzPOFtKIC
Name Octacosyl p-coumarate, 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 628.525072710 u
Formula C40H72O3Si
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C40H72O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-37-42-40(41)36-33-38-31-34-39(35-32-38)43-44(2,3)4/h31-36H,5-30,37H2,1-4H3/b36-33+
InChIKey HZICVSFLABOQBC-PKUSAGTQSA-N
Molecular Weight 629.098 g/mol
Nominal Mass 628 u
Number of Peaks 250
SMILES C(CCCCCCCCCCCCCCCCCOC(\C=C\c1ccc(cc1)O[Si](C)(C)C)=O)CCCCCCCCCC
SPLASH splash10-00kr-3490000000-4c88af01342bf486a2c6
Source poplar (P. balsamifera) bark
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Synonyms 1-Octacosyl p-coumarate, mono-TMS
Wiley ID VI001005