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Se-Phenyl (5E,9E,13E)-5,9,13-trimethyloctadeca-5,9,13,17-tetraeneselenoate
SpectraBase Compound ID B65emfPaiIn
InChI InChI=1S/C27H38OSe/c1-5-6-8-14-23(2)15-11-16-24(3)17-12-18-25(4)19-13-22-27(28)29-26-20-9-7-10-21-26/h5,7,9-10,14,16,18,20-21H,1,6,8,11-13,15,17,19,22H2,2-4H3/b23-14+,24-16+,25-18+
InChIKey YLVMASRNVRNXOT-WCGUESEVSA-N
Mol Weight 457.6 g/mol
Molecular Formula C27H38OSe
Exact Mass 458.208788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Acpxt5xwk
Name Se-Phenyl (5E,9E,13E)-5,9,13-trimethyloctadeca-5,9,13,17-tetraeneselenoate
Alternate Name(s) (5E,9E,13E)-5,9,13-trimethyloctadeca-5,9,13,17-tetraeneselenoic acid Se-phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38OSe
InChI InChI=1S/C27H38OSe/c1-5-6-8-14-23(2)15-11-16-24(3)17-12-18-25(4)19-13-22-27(28)29-26-20-9-7-10-21-26/h5,7,9-10,14,16,18,20-21H,1,6,8,11-13,15,17,19,22H2,2-4H3/b23-14+,24-16+,25-18+
InChIKey YLVMASRNVRNXOT-WCGUESEVSA-N
Molecular Weight 457.572 g/mol
SMILES C([Se]c1ccccc1)(=O)CCC\C(=C\CC\C(=C\CC\C(=C\CCC=C)C)C)C
SPLASH splash10-001i-6901000000-bf715bf30ca0813b84d0
Source of Spectrum KC-0-54-47
Wiley ID 784819