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(nz)-N-[1-(2-Phenylmethoxyethyl)-2-[1-(phenylsulfonyl)indol-2-yl]piperidin-4-ylidene]hydroxylamine
SpectraBase Compound ID wg0wKzNWWe
InChI InChI=1S/C28H29N3O4S/c32-29-24-15-16-30(17-18-35-21-22-9-3-1-4-10-22)27(20-24)28-19-23-11-7-8-14-26(23)31(28)36(33,34)25-12-5-2-6-13-25/h1-14,19,27,32H,15-18,20-21H2/b29-24-
InChIKey DIMAOGLKKPZTHF-OLFWJLLRSA-N
Mol Weight 503.62 g/mol
Molecular Formula C28H29N3O4S
Exact Mass 503.187878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0IsI7dVRGJ
Name (nz)-N-[1-(2-Phenylmethoxyethyl)-2-[1-(phenylsulfonyl)indol-2-yl]piperidin-4-ylidene]hydroxylamine
Comments Computed using HOSE algorithm
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Exact Mass 503.187877596 u
Formula C28H29N3O4S
InChI InChI=1S/C28H29N3O4S/c32-29-24-15-16-30(17-18-35-21-22-9-3-1-4-10-22)27(20-24)28-19-23-11-7-8-14-26(23)31(28)36(33,34)25-12-5-2-6-13-25/h1-14,19,27,32H,15-18,20-21H2/b29-24-
InChIKey DIMAOGLKKPZTHF-OLFWJLLRSA-N
Molecular Weight 503.617 g/mol
SMILES C1(S(N2C(=CC3=C2C=CC=C3)C2N(CC\C(C2)=N\O)CCOCC=2C=CC=CC2)(=O)=O)=CC=CC=C1