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Methyl 5-hydroxy-4-nitro-7-phenylheptanoate
SpectraBase Compound ID 9EYqCztCy1J
InChI InChI=1S/C14H19NO5/c1-20-14(17)10-8-12(15(18)19)13(16)9-7-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3/t12-,13-/m0/s1
InChIKey VSZKWOCWPFEPHF-STQMWFEESA-N
Mol Weight 281.31 g/mol
Molecular Formula C14H19NO5
Exact Mass 281.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUWKsQhT5hH
Name Methyl 5-hydroxy-4-nitro-7-phenylheptanoate
Alternate Name(s) (4S,5S)-methyl 5-hydroxy-4-nitro-7-phenylheptanoate
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Formula C14H19NO5
InChI InChI=1S/C14H19NO5/c1-20-14(17)10-8-12(15(18)19)13(16)9-7-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3/t12-,13-/m0/s1
InChIKey VSZKWOCWPFEPHF-STQMWFEESA-N
Molecular Weight 281.308 g/mol
SMILES O[C@]([C@](CCC(OC)=O)([N+](=O)[O-])[H])(CCc1ccccc1)[H]
SPLASH splash10-0006-9800000000-2cd6fd448490b5522d52
Source of Spectrum A1-12-3058/SMS9-3l_Synisomer
Wiley ID 1752335