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tert-Butyl 3-(tert-Butyldiphenylsiloxymethyl)-2-(pent-4-en-1-yl)-1H-pyrrole-1-carboxylate
SpectraBase Compound ID BtWEpCU0m6K
InChI InChI=1S/C31H41NO3Si/c1-8-9-12-21-28-25(22-23-32(28)29(33)35-30(2,3)4)24-34-36(31(5,6)7,26-17-13-10-14-18-26)27-19-15-11-16-20-27/h8,10-11,13-20,22-23H,1,9,12,21,24H2,2-7H3
InChIKey ISGCODBWHGCMFO-UHFFFAOYSA-N
Mol Weight 503.8 g/mol
Molecular Formula C31H41NO3Si
Exact Mass 503.285571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZSu2oL8X08
Name tert-Butyl 3-(tert-Butyldiphenylsiloxymethyl)-2-(pent-4-en-1-yl)-1H-pyrrole-1-carboxylate
Appearance Colorless oil
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Exact Mass 503.285570716 u
Formula C31H41NO3Si
InChI InChI=1S/C31H41NO3Si/c1-8-9-12-21-28-25(22-23-32(28)29(33)35-30(2,3)4)24-34-36(31(5,6)7,26-17-13-10-14-18-26)27-19-15-11-16-20-27/h8,10-11,13-20,22-23H,1,9,12,21,24H2,2-7H3
InChIKey ISGCODBWHGCMFO-UHFFFAOYSA-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 503.758 g/mol
Quality 1
Reported Formula C31H41NO3Si
SMILES C(OC(C)(C)C)(=O)N1C(=C(C=C1)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CCCC=C
SPLASH splash10-0a4j-0691000000-c765fdb86306f2010d49
Source of Spectrum ACI-57-SM76-12 (DOI: 10.1002/anie.201711439)
Thin-Layer Chromatography 0.76 (EtOAc/hexane, 10%)
Wiley ID 1890656