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Propyl 1-methyl-2-phenyl-1H-benzo[g]indole-3-sulfonate
SpectraBase Compound ID 3tImDHtl1UC
InChI InChI=1S/C22H21NO3S/c1-3-15-26-27(24,25)22-19-14-13-16-9-7-8-12-18(16)21(19)23(2)20(22)17-10-5-4-6-11-17/h4-14H,3,15H2,1-2H3
InChIKey HOVKKRYBRDHKPX-UHFFFAOYSA-N
Mol Weight 379.47 g/mol
Molecular Formula C22H21NO3S
Exact Mass 379.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0hk9QCviJL
Name Propyl 1-methyl-2-phenyl-1H-benzo[g]indole-3-sulfonate
Appearance Yellow solid
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Exact Mass 379.124214711 u
Formula C22H21NO3S
InChI InChI=1S/C22H21NO3S/c1-3-15-26-27(24,25)22-19-14-13-16-9-7-8-12-18(16)21(19)23(2)20(22)17-10-5-4-6-11-17/h4-14H,3,15H2,1-2H3
InChIKey HOVKKRYBRDHKPX-UHFFFAOYSA-N
Instrument Name Agilent 5975N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612565
Molecular Weight 379.474 g/mol
Reported Formula C22H21NO3S
SMILES C1(S(OCCC)(=O)=O)=C(N(C2=C1C=CC1=C2C=CC=C1)C)C1=CC=CC=C1
SPLASH splash10-000i-0029000000-16251a463a052b8eac78
Source of Spectrum ACI-56-SM38-5b (DOI: 10.1002/anie.201612565)
Wiley ID 1895565