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(1R,2S)-3,3-Dimethoxy-2-methyl-1-(4-nitrophenyl)-propan-1-ol
SpectraBase Compound ID D3KPHDuoWLe
InChI InChI=1S/C12H17NO5/c1-8(12(17-2)18-3)11(14)9-4-6-10(7-5-9)13(15)16/h4-8,11-12,14H,1-3H3/t8-,11+/m0/s1
InChIKey XSGZPBXAVCZADU-GZMMTYOYSA-N
Mol Weight 255.27 g/mol
Molecular Formula C12H17NO5
Exact Mass 255.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxsWiVY5WiV
Name (1R,2S)-3,3-Dimethoxy-2-methyl-1-(4-nitrophenyl)-propan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO5
InChI InChI=1S/C12H17NO5/c1-8(12(17-2)18-3)11(14)9-4-6-10(7-5-9)13(15)16/h4-8,11-12,14H,1-3H3/t8-,11+/m0/s1
InChIKey XSGZPBXAVCZADU-GZMMTYOYSA-N
Literature Reference DOI 10.1002/adsc.200606106
Molecular Weight 255.270 g/mol
SMILES O[C@]([C@@](C(OC)OC)(C)[H])(c1ccc(cc1)[N+](=O)[O-])[H]
SPLASH splash10-00b9-9000000000-ff641be58fc28a34fad7
Source of Spectrum ASC-348-1231-7
Synonyms (1R,2S)-3,3-dimethoxy-2-methyl-1-(4-nitrophenyl)propan-1-ol
Wiley ID 1764937