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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEJEIcdIOAM
Name (1S,2R)-(-)-1-[(3-tert-Butyl-2-hydroxy-5-nitrobenzylidene)amino]indan-2-ol
Alternate Name(s) (1S,2R)-1-{[(E)-(3-tert-butyl-2-hydroxy-5-nitrophenyl)methylidene]amino}-2,3-dihydro-1H-inden-2-ol
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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 O[C@@]1(Cc2c([C@@]1(\N=C\c1c(c(cc(c1)N(=O)=O)C(C)(C)C)O)[H])cccc2)[H]
SPLASH splash10-0pe9-3935000000-68b0fd8b7acc85e16e52
Source of Spectrum KD-16-1172-13
Wiley ID 1637595