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TETRACOSANYL-COUMAROYLESTER;MIXTURE;R=(CH2)22CH3
SpectraBase Compound ID H9w47qe68Oo
InChI InChI=1S/C33H56O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-36-33(35)29-26-31-24-27-32(34)28-25-31/h24-29,34H,2-23,30H2,1H3/b29-26+
InChIKey FNUQVBAOIKMXFM-PBBVDAKRSA-N
Mol Weight 500.8 g/mol
Molecular Formula C33H56O3
Exact Mass 500.422946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lvUahCHKK
Name trans-tetracosanyl p-coumarate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H56O3
InChI InChI=1S/C33H56O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-36-33(35)29-26-31-24-27-32(34)28-25-31/h24-29,34H,2-23,30H2,1H3/b29-26+
InChIKey FNUQVBAOIKMXFM-PBBVDAKRSA-N
Instrument Name Varian Saturn 2000
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1677
Molecular Weight 500.808 g/mol
SMILES Oc1ccc(cc1)\C=C\C(OCCCCCCCCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-0cdj-4900000000-9a594d3af95e9b3abca7
Source of Spectrum RCM-18-2694-Fig 6(a)
Wiley ID 1836363