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(Z)-3-Hexenyl (E)-ferulate
SpectraBase Compound ID 7oCWuRQczNg
InChI InChI=1S/C16H20O4/c1-3-4-5-6-11-20-16(18)10-8-13-7-9-14(17)15(12-13)19-2/h4-5,7-10,12,17H,3,6,11H2,1-2H3/b5-4-,10-8+
InChIKey DQSMLWPDCOLWCU-BTCMVDHLSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OIZmnX89cD
Name (Z)-3-Hexenyl (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 276.136159120 u
Formula C16H20O4
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C16H20O4/c1-3-4-5-6-11-20-16(18)10-8-13-7-9-14(17)15(12-13)19-2/h4-5,7-10,12,17H,3,6,11H2,1-2H3/b5-4-,10-8+
InChIKey DQSMLWPDCOLWCU-BTCMVDHLSA-N
Molecular Weight 276.332 g/mol
Nominal Mass 276 u
Number of Peaks 49
SMILES Oc1c(cc(cc1)\C=C\C(=O)OCC\C=C/CC)OC
SPLASH splash10-0006-3900000000-c4ef92c64e7a379be48d
Source Synthesis, L. Wroblewski
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001021