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5-O-Ethylembelin
SpectraBase Compound ID 6tdlywGNXrV
InChI InChI=1S/C19H30O4/c1-3-5-6-7-8-9-10-11-12-13-15-18(21)16(20)14-17(19(15)22)23-4-2/h14,21H,3-13H2,1-2H3
InChIKey BKAZNQWWINLHDW-UHFFFAOYSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Yb0mGuubm4
Name 5-O-Ethylembelin
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-3-5-6-7-8-9-10-11-12-13-15-18(21)16(20)14-17(19(15)22)23-4-2/h14,21H,3-13H2,1-2H3
InChIKey BKAZNQWWINLHDW-UHFFFAOYSA-N
Instrument Name Bruker APEX II
Ionization Type EI
Literature Reference DOI 10.1021/np030477z
Molecular Weight 322.445 g/mol
Reported Formula C19H30O4
SMILES OC=1C(C=C(C(C1CCCCCCCCCCC)=O)OCC)=O
SPLASH splash10-0ff0-0902000000-1fb11dd489fb372a798f
Source of Spectrum G4-67-765-2
Wiley ID 1881790