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N-[3-(2-hydroxyphenyl)prop-2-ynyl]-N-methyl-2-nitro-benzenesulfonamide
SpectraBase Compound ID I4EjJYQ5fj6
InChI InChI=1S/C16H14N2O5S/c1-17(12-6-8-13-7-2-4-10-15(13)19)24(22,23)16-11-5-3-9-14(16)18(20)21/h2-5,7,9-11,19H,12H2,1H3
InChIKey WWUFJRGJEFCODE-UHFFFAOYSA-N
Mol Weight 346.36 g/mol
Molecular Formula C16H14N2O5S
Exact Mass 346.062343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82690pDPnaE
Name N-[3-(2-hydroxyphenyl)prop-2-ynyl]-N-methyl-2-nitro-benzenesulfonamide
Appearance Light yellow oil
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Exact Mass 346.062342728 u
Formula C16H14N2O5S
InChI InChI=1S/C16H14N2O5S/c1-17(12-6-8-13-7-2-4-10-15(13)19)24(22,23)16-11-5-3-9-14(16)18(20)21/h2-5,7,9-11,19H,12H2,1H3
InChIKey WWUFJRGJEFCODE-UHFFFAOYSA-N
Instrument Name HP-5989
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602545
Molecular Weight 346.357 g/mol
Quality 6
Reported Formula C16H14N2O5S
SMILES OC=1C=CC=CC1C#CCN(S(C1=CC=CC=C1[N+]([O-])=O)(=O)=O)C
SPLASH splash10-001i-0900000000-74ee93ebc408b77fe7bf
Source of Spectrum QE-22-SM33-1l (DOI: 10.1002/chem.201602545)
Wiley ID 1905134