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5-[(4-Butylphenyl)imino]-5H-5.gamma.4-dibenzo[b,d]thiophene 5-oxide
SpectraBase Compound ID KhDehnxHg9E
InChI InChI=1S/C22H21NOS/c1-2-3-8-17-13-15-18(16-14-17)23-25(24)21-11-6-4-9-19(21)20-10-5-7-12-22(20)25/h4-7,9-16H,2-3,8H2,1H3
InChIKey VLFXOQOXKXCOPU-UHFFFAOYSA-N
Mol Weight 347.48 g/mol
Molecular Formula C22H21NOS
Exact Mass 347.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QxPZT4kKj2
Name 5-[(4-Butylphenyl)imino]-5H-5.gamma.4-dibenzo[b,d]thiophene 5-oxide
Appearance Pale yellow solid
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Exact Mass 347.134385473 u
Formula C22H21NOS
InChI InChI=1S/C22H21NOS/c1-2-3-8-17-13-15-18(16-14-17)23-25(24)21-11-6-4-9-19(21)20-10-5-7-12-22(20)25/h4-7,9-16H,2-3,8H2,1H3
InChIKey VLFXOQOXKXCOPU-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705025
Molecular Weight 347.476 g/mol
Quality 155
Reported Formula C22H21ONS
SMILES C1=2S(C3=C(C2C=CC=C1)C=CC=C3)(=NC1=CC=C(C=C1)CCCC)=O
SPLASH splash10-0f6t-1319000000-ac79b695ce67995cbd5d
Source of Spectrum ACI-56-SM5-1f (DOI: 10.1002/anie.201705025)
Thin-Layer Chromatography 0.76 (pentane/EtOAc, 2:1)
Wiley ID 1896210