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threo-Methyl-3-(2-(4-methylenetetrahydrofuran-2-yl)-2-(phenylselanyl)ethyl)benzoate
SpectraBase Compound ID D8xZCBJX885
InChI InChI=1S/C21H22O3Se/c1-15-11-19(24-14-15)20(25-18-9-4-3-5-10-18)13-16-7-6-8-17(12-16)21(22)23-2/h3-10,12,19-20H,1,11,13-14H2,2H3/t19-,20-/m1/s1
InChIKey GXNIAIRJPFJATD-WOJBJXKFSA-N
Mol Weight 401.38 g/mol
Molecular Formula C21H22O3Se
Exact Mass 402.073417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Vzmq933jye
Name threo-Methyl-3-(2-(4-methylenetetrahydrofuran-2-yl)-2-(phenylselanyl)ethyl)benzoate
Appearance Yellow oil
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Formula C21H22O3Se
InChI InChI=1S/C21H22O3Se/c1-15-11-19(24-14-15)20(25-18-9-4-3-5-10-18)13-16-7-6-8-17(12-16)21(22)23-2/h3-10,12,19-20H,1,11,13-14H2,2H3/t19-,20-/m1/s1
InChIKey GXNIAIRJPFJATD-WOJBJXKFSA-N
Instrument Name Agilent 6890-Hewlett Packard 5973
Ionization Type EI positive ion
Literature Reference DOI 10.3762/bjoc.11.18
Molecular Weight 401.376 g/mol
Reported Formula C21H22O3Se
SMILES c1ccc(cc1C[C@]([C@]1(CC(CO1)=C)[H])([Se]c1ccccc1)[H])C(OC)=O
SPLASH splash10-03fs-5970000000-509b0ba81bf7a4c44570
Source of Spectrum BJO-11-SM27-3d
Wiley ID 1851556