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N-(4-hexyl-3-oxo-2-phenylcyclobut-1-en-1-yl)-S,S-methylphenylsulfoximine
SpectraBase Compound ID 9OfccHFb0B0
InChI InChI=1S/C23H27NO2S/c1-3-4-5-12-17-20-22(21(23(20)25)18-13-8-6-9-14-18)24-27(2,26)19-15-10-7-11-16-19/h6-11,13-16,20H,3-5,12,17H2,1-2H3
InChIKey RJLBDVHIJRIGQP-UHFFFAOYSA-N
Mol Weight 381.53 g/mol
Molecular Formula C23H27NO2S
Exact Mass 381.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XBoMLlzlX3
Name N-(4-hexyl-3-oxo-2-phenylcyclobut-1-en-1-yl)-S,S-methylphenylsulfoximine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27NO2S
InChI InChI=1S/C23H27NO2S/c1-3-4-5-12-17-20-22(21(23(20)25)18-13-8-6-9-14-18)24-27(2,26)19-15-10-7-11-16-19/h6-11,13-16,20H,3-5,12,17H2,1-2H3
InChIKey RJLBDVHIJRIGQP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol4026028
Molecular Weight 381.534 g/mol
SMILES C1(C(=C(C1=O)c1ccccc1)N=S(c1ccccc1)(C)=O)CCCCCC
SPLASH splash10-001i-0901000000-f8116cad5505d058745e
Source of Spectrum A1-15-5397/SMS11-4m
Wiley ID 1751034