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Benzyl 2-(3-((2R*,3S*)-3-acetyloxiran-2-yl)propyl)-1H-pyrrole-1-carboxylate
SpectraBase Compound ID Ap7qgTNRkne
InChI InChI=1S/C19H21NO4/c1-14(21)18-17(24-18)11-5-9-16-10-6-12-20(16)19(22)23-13-15-7-3-2-4-8-15/h2-4,6-8,10,12,17-18H,5,9,11,13H2,1H3/t17-,18-/m1/s1
InChIKey FBFHMCJEQACQOK-QZTJIDSGSA-N
Mol Weight 327.38 g/mol
Molecular Formula C19H21NO4
Exact Mass 327.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jdc2J79Qoom
Name Benzyl 2-(3-((2R*,3S*)-3-acetyloxiran-2-yl)propyl)-1H-pyrrole-1-carboxylate
Appearance Colorless oil
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Exact Mass 327.147058156 u
Formula C19H21NO4
InChI InChI=1S/C19H21NO4/c1-14(21)18-17(24-18)11-5-9-16-10-6-12-20(16)19(22)23-13-15-7-3-2-4-8-15/h2-4,6-8,10,12,17-18H,5,9,11,13H2,1H3/t17-,18-/m1/s1
InChIKey FBFHMCJEQACQOK-QZTJIDSGSA-N
Instrument Name Finnigan MAT 95 or API QSTAR PULSAR iLC/MS/TOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201711439
Molecular Weight 327.380 g/mol
Quality 84
Reported Formula C19H21NO4
SMILES C([C@@]1([C@](O1)(CCCC1=CC=CN1C(OCC1=CC=CC=C1)=O)[H])[H])(=O)C
SPLASH splash10-0006-9200000000-764ff6ff73c4cdaf87a5
Source of Spectrum ACI-57-SM19-2b.3 (DOI: 10.1002/anie.201711439)
Thin-Layer Chromatography 0.27 (EtOAc/hexane, 10%)
Wiley ID 1890665