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(1R,2S)-(+)-1-[N-(3'-tert-Butyl-5'-bromosalicylidene)amino]-2-indanol
SpectraBase Compound ID APx7KlG4ePa
InChI InChI=1S/C20H22BrNO2/c1-20(2,3)16-10-14(21)8-13(19(16)24)11-22-18-15-7-5-4-6-12(15)9-17(18)23/h4-8,10-11,17-18,23-24H,9H2,1-3H3/t17-,18+/m0/s1
InChIKey QWHHEZKIVIBHKL-ZWKOTPCHSA-N
Mol Weight 388.31 g/mol
Molecular Formula C20H22BrNO2
Exact Mass 387.083392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fv64s9iXxaq
Name (1R,2S)-(+)-1-[N-(3'-tert-Butyl-5'-bromosalicylidene)amino]-2-indanol
Appearance Yellow oil
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Exact Mass 387.083391950 u
Formula C20H22BrNO2
InChI InChI=1S/C20H22BrNO2/c1-20(2,3)16-10-14(21)8-13(19(16)24)11-22-18-15-7-5-4-6-12(15)9-17(18)23/h4-8,10-11,17-18,23-24H,9H2,1-3H3/t17-,18+/m0/s1
InChIKey QWHHEZKIVIBHKL-ZWKOTPCHSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.b02
Molecular Weight 388.305 g/mol
Optical Rotation [a]D25 = +11.03 (c = 0.5, CH2Cl2)
Quality 131
SMILES O[C@@]1([C@](N=CC2=CC(=CC(=C2O)C(C)(C)C)Br)(C2=CC=CC=C2C1)[H])[H]
SPLASH splash10-0fa9-3918000000-e4a1b8d3ffa8d3628658
Source of Spectrum ARK-2003-11-18 (DOI: 10.3998/ark.5550190.0004.b02)
Wiley ID 1899728