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(1S,2R)-(-)-1-[N-(3'-tert-Butyl-5'-nitrosalicilidene)amino]-2-indanol
SpectraBase Compound ID 3Em7WGnbJN6
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/t17-,18+/m1/s1
InChIKey NYQGVYNYPYTFRT-MSOLQXFVSA-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 1KHnSX6X9k
Name (1S,2R)-(-)-1-[N-(3'-tert-Butyl-5'-nitrosalicilidene)amino]-2-indanol
Appearance Yellow solid
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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/t17-,18+/m1/s1
InChIKey NYQGVYNYPYTFRT-MSOLQXFVSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.b02
Molecular Weight 354.406 g/mol
Optical Rotation [a]D25 = -29.33 (c = 0.50, CH2Cl2)
Quality 197
SMILES O[C@]1([C@@](N=CC2=CC(=CC(=C2O)C(C)(C)C)[N+](=O)[O-])(C2=CC=CC=C2C1)[H])[H]
SPLASH splash10-0pe9-3935000000-656dd74ee2ae50bba38e
Source of Spectrum ARK-2003-11-14 (DOI: 10.3998/ark.5550190.0004.b02)
Wiley ID 1899727