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N-[keto-[(E)-3-methylbut-1-enyl]-phenyl-persulfuranylidene]-4-methyl-benzenesulfonamide
SpectraBase Compound ID H9Z7uPWAgTF
InChI InChI=1S/C18H21NO3S2/c1-15(2)13-14-23(20,17-7-5-4-6-8-17)19-24(21,22)18-11-9-16(3)10-12-18/h4-15H,1-3H3/b14-13+
InChIKey QQGSVRJRQSYQHZ-BUHFOSPRSA-N
Mol Weight 363.49 g/mol
Molecular Formula C18H21NO3S2
Exact Mass 363.096286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTAHWgVmonZ
Name N-[keto-[(E)-3-methylbut-1-enyl]-phenyl-persulfuranylidene]-4-methyl-benzenesulfonamide
CAS Registry Number 127759-39-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO3S2
InChI InChI=1S/C18H21NO3S2/c1-15(2)13-14-23(20,17-7-5-4-6-8-17)19-24(21,22)18-11-9-16(3)10-12-18/h4-15H,1-3H3/b14-13+
InChIKey QQGSVRJRQSYQHZ-BUHFOSPRSA-N
Molecular Weight 363.490 g/mol
SMILES c1(S(N=S(\C=C\C(C)C)(=O)c2ccccc2)(=O)=O)ccc(cc1)C
SPLASH splash10-004i-0092000000-9c8e57cda44a5e1b2e7e
Source of Spectrum KC-1990-201-6
Synonyms 4-methyl-N-[[(E)-3-methylbut-1-enyl]-oxo-phenyl-$l^{6}-sulfanylidene]benzenesulfonamide
Wiley ID 1350179