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(E)-4-(1-(4-Methoxyphenyl)-3-methylbut-2-en-1-ylidene)-1-tosylpyrrolidin-3-ol
SpectraBase Compound ID 24awPoNbvBM
InChI InChI=1S/C23H27NO4S/c1-16(2)13-21(18-7-9-19(28-4)10-8-18)22-14-24(15-23(22)25)29(26,27)20-11-5-17(3)6-12-20/h5-13,23,25H,14-15H2,1-4H3/b22-21+
InChIKey SVSHNARQPARIPJ-QURGRASLSA-N
Mol Weight 413.53 g/mol
Molecular Formula C23H27NO4S
Exact Mass 413.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mhVBYo4BmH
Name (E)-4-(1-(4-Methoxyphenyl)-3-methylbut-2-en-1-ylidene)-1-tosylpyrrolidin-3-ol
Appearance Brown oil
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Exact Mass 413.166079523 u
Formula C23H27NO4S
InChI InChI=1S/C23H27NO4S/c1-16(2)13-21(18-7-9-19(28-4)10-8-18)22-14-24(15-23(22)25)29(26,27)20-11-5-17(3)6-12-20/h5-13,23,25H,14-15H2,1-4H3/b22-21+
InChIKey SVSHNARQPARIPJ-QURGRASLSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202203068
Molecular Weight 413.532 g/mol
Reported Formula C23H27O4S
SMILES OC1\C(CN(C1)S(C=1C=CC(C)=CC1)(=O)=O)=C\(C1=CC=C(C=C1)OC)C=C(C)C
SPLASH splash10-0006-0093000000-f4957031220639989e0b
Source of Spectrum QE-29-SM38-4nb (DOI: 10.1002/chem.202203068)
Thin-Layer Chromatography 0.36 (20% EtOAc/toluene)
Wiley ID 1909460