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(6R*,7R*)-6-methyl-7-nitro-7-phenylheptane-3,4-dione
SpectraBase Compound ID Fo1Xm7UPiSq
InChI InChI=1S/C14H17NO4/c1-3-12(16)13(17)9-10(2)14(15(18)19)11-7-5-4-6-8-11/h4-8,10,14H,3,9H2,1-2H3/t10-,14-/m1/s1
InChIKey VDKIXFOTILIVLK-QMTHXVAHSA-N
Mol Weight 263.29 g/mol
Molecular Formula C14H17NO4
Exact Mass 263.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrEOWP4fTdY
Name (6R*,7R*)-6-methyl-7-nitro-7-phenylheptane-3,4-dione
Alternate Name(s) (6R,7R)-6-methyl-7-nitro-7-phenyl-3,4-heptanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO4
InChI InChI=1S/C14H17NO4/c1-3-12(16)13(17)9-10(2)14(15(18)19)11-7-5-4-6-8-11/h4-8,10,14H,3,9H2,1-2H3/t10-,14-/m1/s1
InChIKey VDKIXFOTILIVLK-QMTHXVAHSA-N
Molecular Weight 263.293 g/mol
SMILES [C@](N(=O)=O)([C@@](CC(C(=O)CC)=O)(C)[H])(c1ccccc1)[H]
SPLASH splash10-0a6r-9600000000-f0f2b7d557d843a390f9
Source of Spectrum KC-1991-1649-11
Wiley ID 1266883