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(1S,2R)-(-)-1-[(3-tert-butyl-2-hydroxy-5-nitrobenzylidene)amino]indan-2-ol

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(1S,2R)-(-)-1-[(3-tert-butyl-2-hydroxy-5-nitrobenzylidene)amino]indan-2-ol
SpectraBase Compound ID Ddx9qsA2EPa
InChI InChI=1S/C20H22N2O4/c1-20(2,3)16-10-14(22(25)26)8-13(19(16)24)11-21-18-15-7-5-4-6-12(15)9-17(18)23/h4-8,10-11,17-18,23-24H,9H2,1-3H3/b21-11+/t17-,18+/m1/s1
InChIKey NYQGVYNYPYTFRT-ZLJAICEBSA-N
Mol Weight 354.41 g/mol
Molecular Formula C20H22N2O4
Exact Mass 354.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Q0lRDTkemD
Name (1S,2R)-(-)-1-[(3-tert-butyl-2-hydroxy-5-nitrobenzylidene)amino]indan-2-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.157957192 u
Formula C20H22N2O4
InChI InChI=1S/C20H22N2O4/c1-20(2,3)16-10-14(22(25)26)8-13(19(16)24)11-21-18-15-7-5-4-6-12(15)9-17(18)23/h4-8,10-11,17-18,23-24H,9H2,1-3H3/b21-11+/t17-,18+/m1/s1
InChIKey NYQGVYNYPYTFRT-ZLJAICEBSA-N
Molecular Weight 354.406 g/mol
SMILES C1(N(=O)=O)=CC(C(C)(C)C)=C(C(=C1)\C=N\[C@]1(C2=C(C=CC=C2)C[C@]1(O)[H])[H])O