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N-[1-(4-methoxyphenyl)but-3-en-1-yl]-S,S-methylphenylsulfoximine
SpectraBase Compound ID 8F38WXZLJQD
InChI InChI=1S/C18H21NO2S/c1-4-8-18(15-11-13-16(21-2)14-12-15)19-22(3,20)17-9-6-5-7-10-17/h4-7,9-14,18H,1,8H2,2-3H3
InChIKey UDZLLBRWZFLFMM-UHFFFAOYSA-N
Mol Weight 315.43 g/mol
Molecular Formula C18H21NO2S
Exact Mass 315.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ao0lIXUKFl
Name N-[1-(4-methoxyphenyl)but-3-en-1-yl]-S,S-methylphenylsulfoximine
Appearance Colorless viscous oil
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Exact Mass 315.129300092 u
Formula C18H21NO2S
InChI InChI=1S/C18H21NO2S/c1-4-8-18(15-11-13-16(21-2)14-12-15)19-22(3,20)17-9-6-5-7-10-17/h4-7,9-14,18H,1,8H2,2-3H3
InChIKey UDZLLBRWZFLFMM-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801660
Molecular Weight 315.431 g/mol
Quality 188
Reported Formula C18H21NO2S
SMILES C=1C(OC)=CC=C(C(CC=C)N=S(C=2C=CC=CC2)(=O)C)C1
SPLASH splash10-004l-9731000000-7d62f7ce6b51f6c42f92
Sample Comments dr = 1:1
Source of Spectrum ACI-57-SM8-3u (DOI: 10.1002/anie.201801660)
Wiley ID 1890893