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Dodecyl (E)-p-coumarate
SpectraBase Compound ID ITuzI7DLrUl
InChI InChI=1S/C21H32O3/c1-2-3-4-5-6-7-8-9-10-11-18-24-21(23)17-14-19-12-15-20(22)16-13-19/h12-17,22H,2-11,18H2,1H3/b17-14+
InChIKey IUQAFQCPIPHTKY-SAPNQHFASA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Am3JTKhzken
Name Dodecyl (E)-p-coumarate
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 332.235144887 u
Formula C21H32O3
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C21H32O3/c1-2-3-4-5-6-7-8-9-10-11-18-24-21(23)17-14-19-12-15-20(22)16-13-19/h12-17,22H,2-11,18H2,1H3/b17-14+
InChIKey IUQAFQCPIPHTKY-SAPNQHFASA-N
Molecular Weight 332.484 g/mol
Nominal Mass 332 u
Number of Peaks 42
SMILES Oc1ccc(cc1)\C=C\C(=O)OCCCCCCCCCCCC
SPLASH splash10-03dj-2900000000-78b079aa1223dbb3dfae
Source Synthesis, L. Wroblewski
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001019