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3-Hydroxy-1-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)propan-1-one
SpectraBase Compound ID 7IU0PmTOPH0
InChI InChI=1S/C17H17NO5/c1-11(17(20)13-5-9-15(23-2)10-6-13)16(19)12-3-7-14(8-4-12)18(21)22/h3-11,16,19H,1-2H3/t11-,16-/m0/s1
InChIKey NBHNIMOHEOZJJM-ZBEGNZNMSA-N
Mol Weight 315.33 g/mol
Molecular Formula C17H17NO5
Exact Mass 315.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cf88zpxclW9
Name 3-Hydroxy-1-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO5
InChI InChI=1S/C17H17NO5/c1-11(17(20)13-5-9-15(23-2)10-6-13)16(19)12-3-7-14(8-4-12)18(21)22/h3-11,16,19H,1-2H3/t11-,16-/m0/s1
InChIKey NBHNIMOHEOZJJM-ZBEGNZNMSA-N
Literature Reference DOI 10.1021/jo100275q
Molecular Weight 315.325 g/mol
SMILES O[C@](c1ccc([N+]([O-])=O)cc1)([C@@](C(c1ccc(cc1)OC)=O)(C)[H])[H]
SPLASH splash10-000i-3910000000-c5402c7968c1e0c3215c
Source of Spectrum J-75-4716/SMS52-30
Synonyms (2S,3S)-3-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)propan-1-one
Wiley ID 1751556