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N-(Azobenzene-4-ylmethyl)-5-dimethylaminonaphthalene-N-propyl-1-sulfonamide
SpectraBase Compound ID G1dpxOPdQxo
InChI InChI=1S/C28H30N4O2S/c1-4-20-32(21-22-16-18-24(19-17-22)30-29-23-10-6-5-7-11-23)35(33,34)28-15-9-12-25-26(28)13-8-14-27(25)31(2)3/h5-19H,4,20-21H2,1-3H3/b30-29+
InChIKey ASBGNRUAMIQGCG-QVIHXGFCSA-N
Mol Weight 486.63 g/mol
Molecular Formula C28H30N4O2S
Exact Mass 486.208947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IA7lcTzn1g9
Name N-(Azobenzene-4-ylmethyl)-5-dimethylaminonaphthalene-N-propyl-1-sulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 486.208947394 u
Formula C28H30N4O2S
InChI InChI=1S/C28H30N4O2S/c1-4-20-32(21-22-16-18-24(19-17-22)30-29-23-10-6-5-7-11-23)35(33,34)28-15-9-12-25-26(28)13-8-14-27(25)31(2)3/h5-19H,4,20-21H2,1-3H3/b30-29+
InChIKey ASBGNRUAMIQGCG-QVIHXGFCSA-N
Molecular Weight 486.634 g/mol
SMILES C1(S(N(CC=2C=CC(\N=N\C3=CC=CC=C3)=CC2)CCC)(=O)=O)=C2C(C(N(C)C)=CC=C2)=CC=C1