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tert-Butyl (E)-2-ethyl-5-(6-oxohept-4-en-1-yl)-1H-pyrrole-1-carboxylate
SpectraBase Compound ID 662eZy5GUp5
InChI InChI=1S/C18H27NO3/c1-6-15-12-13-16(11-9-7-8-10-14(2)20)19(15)17(21)22-18(3,4)5/h8,10,12-13H,6-7,9,11H2,1-5H3/b10-8+
InChIKey LETARAVRTJXKKM-CSKARUKUSA-N
Mol Weight 305.42 g/mol
Molecular Formula C18H27NO3
Exact Mass 305.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dmkGibOUvV
Name tert-Butyl (E)-2-ethyl-5-(6-oxohept-4-en-1-yl)-1H-pyrrole-1-carboxylate
Appearance Yellow oil
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Exact Mass 305.199093730 u
Formula C18H27NO3
InChI InChI=1S/C18H27NO3/c1-6-15-12-13-16(11-9-7-8-10-14(2)20)19(15)17(21)22-18(3,4)5/h8,10,12-13H,6-7,9,11H2,1-5H3/b10-8+
InChIKey LETARAVRTJXKKM-CSKARUKUSA-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 305.418 g/mol
Quality 53
Reported Formula C18H27NO3
SMILES C(CC1=CC=C(N1C(OC(C)(C)C)=O)CC)C\C=C\C(C)=O
SPLASH splash10-000i-0920000000-be16ce83117903204cbd
Source of Spectrum ACI-57-SM43-2j.4 (DOI: 10.1002/anie.201711439)
Thin-Layer Chromatography 0.20 (EtOAc/hexane, 5%)
Wiley ID 1890695