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(2S,3R)-tert-Butyl 2-(3-(3-acetyloxiran-2-yl)propyl)-5-ethyl-1H-pyrrole-1-carboxylate
SpectraBase Compound ID D5gIKVBcdoV
InChI InChI=1S/C18H27NO4/c1-6-13-10-11-14(19(13)17(21)23-18(3,4)5)8-7-9-15-16(22-15)12(2)20/h10-11,15-16H,6-9H2,1-5H3/t15-,16-/m1/s1
InChIKey AYLKULANCUJORT-HZPDHXFCSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41Ny7zc9nFH
Name (2S,3R)-tert-Butyl 2-(3-(3-acetyloxiran-2-yl)propyl)-5-ethyl-1H-pyrrole-1-carboxylate
Appearance Pale yellow oil
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Exact Mass 321.194008349 u
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-6-13-10-11-14(19(13)17(21)23-18(3,4)5)8-7-9-15-16(22-15)12(2)20/h10-11,15-16H,6-9H2,1-5H3/t15-,16-/m1/s1
InChIKey AYLKULANCUJORT-HZPDHXFCSA-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 321.417 g/mol
Quality 70
Reported Formula C18H27NO4
SMILES C([C@@]1([C@](O1)(CCCC1=CC=C(N1C(OC(C)(C)C)=O)CC)[H])[H])(C)=O
SPLASH splash10-0a4j-0910000000-1f2b06e72e1c80a9a02f
Source of Spectrum ACI-57-SM44-2j.5 (DOI: 10.1002/anie.201711439)
Thin-Layer Chromatography 0.20 (EtOAc/hexane, 5%)
Wiley ID 1890696