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(3R,4R)-3-Hydroxy-5-nitro-4-(4-methoxyphenyl)pentan-2-one
SpectraBase Compound ID FvxnqGY4jb0
InChI InChI=1S/C12H15NO5/c1-8(14)12(15)11(7-13(16)17)9-3-5-10(18-2)6-4-9/h3-6,11-12,15H,7H2,1-2H3/t11-,12-/m0/s1
InChIKey QMCLJRZABAUNRL-RYUDHWBXSA-N
Mol Weight 253.25 g/mol
Molecular Formula C12H15NO5
Exact Mass 253.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpW3dU7owd8
Name (3R,4R)-3-Hydroxy-5-nitro-4-(4-methoxyphenyl)pentan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO5
InChI InChI=1S/C12H15NO5/c1-8(14)12(15)11(7-13(16)17)9-3-5-10(18-2)6-4-9/h3-6,11-12,15H,7H2,1-2H3/t11-,12-/m0/s1
InChIKey QMCLJRZABAUNRL-RYUDHWBXSA-N
Literature Reference DOI 10.1002/adsc.200404037
Molecular Weight 253.254 g/mol
SMILES O[C@]([C@@](C[N+](=O)[O-])(c1ccc(cc1)OC)[H])(C(C)=O)[H]
SPLASH splash10-001i-0900000000-6c883ae1c2a0d1f9afc1
Source of Spectrum ASC-346-1162-anti_10c
Synonyms (3R,4R)-3-hydroxy-4-(4-methoxyphenyl)-5-nitropentan-2-one (3R,4R)-3-hydroxy-4-(4-methoxyphenyl)-5-nitro-2-pentanone (3R,4R)-4-(4-methoxyphenyl)-5-nitro-3-oxidanyl-pentan-2-one
Wiley ID 1767670