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(R)-5-nitro-4-phenylpentan-2-one
SpectraBase Compound ID AJj1PonE9N
InChI InChI=1S/C11H13NO3/c1-9(13)7-11(8-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKey HDACXQXSTHNYRG-NSHDSACASA-N
Mol Weight 207.23 g/mol
Molecular Formula C11H13NO3
Exact Mass 207.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WJ2PYuTRrj
Name (R)-5-nitro-4-phenylpentan-2-one
Appearance Off-white crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO3
InChI InChI=1S/C11H13NO3/c1-9(13)7-11(8-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKey HDACXQXSTHNYRG-NSHDSACASA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000335
Molecular Weight 207.229 g/mol
Optical Rotation [a]D20 = -1.6, (c = 1, CHCl3)
SMILES C(=O)(C)C[C@@](C[N+](=O)[O-])(c1ccccc1)[H]
SPLASH splash10-0006-9700000000-d62a9d9111101145484c
Source of Spectrum ASC-362-SM75-20
Wiley ID 1855521