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Octyl (E)-ferulate
SpectraBase Compound ID 8oJdNGwi1wa
InChI InChI=1S/C18H26O4/c1-3-4-5-6-7-8-13-22-18(20)12-10-15-9-11-16(19)17(14-15)21-2/h9-12,14,19H,3-8,13H2,1-2H3/b12-10+
InChIKey PBTJWDSMUBVOKC-ZRDIBKRKSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDXvNnrS8QJ
Name Octyl (E)-ferulate
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 306.183109313 u
Formula C18H26O4
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C18H26O4/c1-3-4-5-6-7-8-13-22-18(20)12-10-15-9-11-16(19)17(14-15)21-2/h9-12,14,19H,3-8,13H2,1-2H3/b12-10+
InChIKey PBTJWDSMUBVOKC-ZRDIBKRKSA-N
Molecular Weight 306.402 g/mol
Nominal Mass 306 u
Number of Peaks 61
SMILES Oc1c(OC)cc(\C=C\C(OCCCCCCCC)=O)cc1
SPLASH splash10-0006-2900000000-ea6363c3fd4558ee89b2
Source Synthesis, L. Wroblewski
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001023