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2-(Pent-4-en-1-yl)-1-((2,4,6-triisopropylphenyl)sulfonyl)-1H-pyrrole
SpectraBase Compound ID BtOwLwYJ52D
InChI InChI=1S/C24H35NO2S/c1-8-9-10-12-21-13-11-14-25(21)28(26,27)24-22(18(4)5)15-20(17(2)3)16-23(24)19(6)7/h8,11,13-19H,1,9-10,12H2,2-7H3
InChIKey ONHWULDRBKRWKI-UHFFFAOYSA-N
Mol Weight 401.6 g/mol
Molecular Formula C24H35NO2S
Exact Mass 401.238851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Aq0hfaKaak
Name 2-(Pent-4-en-1-yl)-1-((2,4,6-triisopropylphenyl)sulfonyl)-1H-pyrrole
Appearance Deep yellow oil
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Formula C24H35NO2S
InChI InChI=1S/C24H35NO2S/c1-8-9-10-12-21-13-11-14-25(21)28(26,27)24-22(18(4)5)15-20(17(2)3)16-23(24)19(6)7/h8,11,13-19H,1,9-10,12H2,2-7H3
InChIKey ONHWULDRBKRWKI-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 401.609 g/mol
Reported Formula C24H35NO2S
SMILES C=1(N(S(C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)(=O)=O)C=CC1)CCCC=C
SPLASH splash10-0udi-0090000000-259c26b12cf42c7697f0
Source of Spectrum ACI-57-SM8-2d.1 (DOI: 10.1002/anie.201711439)
Thin-Layer Chromatography 0.5 (EtOAc/hexane, 5%)
Wiley ID 1890672