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tert-Butyl 2-(4-oxobutyl)-1H-pyrrole-1-carboxylate
SpectraBase Compound ID EoEcxCGpNpf
InChI InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-9-6-8-11(14)7-4-5-10-15/h6,8-10H,4-5,7H2,1-3H3
InChIKey CESDCQMJXKOJAK-UHFFFAOYSA-N
Mol Weight 237.3 g/mol
Molecular Formula C13H19NO3
Exact Mass 237.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeAUr14Gb6
Name tert-Butyl 2-(4-oxobutyl)-1H-pyrrole-1-carboxylate
Appearance Pale yellow oil
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Exact Mass 237.136493473 u
Formula C13H19NO3
InChI InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-9-6-8-11(14)7-4-5-10-15/h6,8-10H,4-5,7H2,1-3H3
InChIKey CESDCQMJXKOJAK-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 237.299 g/mol
Quality 139
Reported Formula C13H19NO3
SMILES C(CCC1=CC=CN1C(OC(C)(C)C)=O)C=O
SPLASH splash10-001i-9500000000-8b832ea17fa284460a26
Source of Spectrum ACI-57-SM32-2h.2 (DOI: 10.1002/anie.201711439)
Wiley ID 1890687