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1-nitro-4-(phenylmethyl)sulfinyl-benzene
SpectraBase Compound ID 8BlIQC2j2qF
InChI InChI=1S/C13H11NO3S/c15-14(16)12-6-8-13(9-7-12)18(17)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey RAXYREIITHHFOR-UHFFFAOYSA-N
Mol Weight 261.29 g/mol
Molecular Formula C13H11NO3S
Exact Mass 261.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZKFQbGSxA4
Name 1-nitro-4-(phenylmethyl)sulfinyl-benzene
CAS Registry Number 17530-78-8
Comments Less than 3 mono-isotopic peaks
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Formula C13H11NO3S
InChI InChI=1S/C13H11NO3S/c15-14(16)12-6-8-13(9-7-12)18(17)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey RAXYREIITHHFOR-UHFFFAOYSA-N
Molecular Weight 261.295 g/mol
SMILES c1(N(=O)=O)ccc(S(Cc2ccccc2)=O)cc1
SPLASH splash10-0006-9000000000-066d407bcc79661151a3
Source of Spectrum KC-1982-401-0
Synonyms 1-nitro-4-(phenylmethyl)sulfinylbenzene 1-benzylsulfinyl-4-nitrobenzene
Wiley ID 1264617