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(S)-Methyl 4-ethyl-4-formyl-6-(4-nitrobenzoyloxy)hexanoate
SpectraBase Compound ID 1TzV6cIyZI0
InChI InChI=1S/C17H21NO7/c1-3-17(12-19,9-8-15(20)24-2)10-11-25-16(21)13-4-6-14(7-5-13)18(22)23/h4-7,12H,3,8-11H2,1-2H3/t17-/m0/s1
InChIKey HXPSBPRLGQMFCX-KRWDZBQOSA-N
Mol Weight 351.36 g/mol
Molecular Formula C17H21NO7
Exact Mass 351.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Czi9Z3W2jMy
Name (S)-Methyl 4-ethyl-4-formyl-6-(4-nitrobenzoyloxy)hexanoate
Alternate Name(s) 4-Nitrobenzoic acid[(3S)-3-ethyl-3-formyl-6-keto-6-methoxy-hexyl]ester 4-Nitrobenzoic acid[(3S)-3-ethyl-3-formyl-6-methoxy-6-oxohexyl]ester [(3S)-3-ethyl-3-formyl-6-methoxy-6-oxo-hexyl]4-nitrobenzoate [(3S)-3-ethyl-3-methanoyl-6-methoxy-6-oxidanylidene-hexyl]4-nitrobenzoate 4-Nitrobenzoic acid [(3S)-3-ethyl-3-formyl-6-methoxy-6-oxohexyl] ester [(3S)-3-ethyl-3-formyl-6-methoxy-6-oxohexyl] 4-nitrobenzoate [(3S)-3-ethyl-3-formyl-6-methoxy-6-oxo-hexyl] 4-nitrobenzoate [(3S)-3-ethyl-3-methanoyl-6-methoxy-6-oxidanylidene-hexyl] 4-nitrobenzoate
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Formula C17H21NO7
InChI InChI=1S/C17H21NO7/c1-3-17(12-19,9-8-15(20)24-2)10-11-25-16(21)13-4-6-14(7-5-13)18(22)23/h4-7,12H,3,8-11H2,1-2H3/t17-/m0/s1
InChIKey HXPSBPRLGQMFCX-KRWDZBQOSA-N
Molecular Weight 351.355 g/mol
SMILES c1(N(=O)=O)ccc(C(=O)OCC[C@@](C=O)(CCC(=O)OC)CC)cc1
SPLASH splash10-000i-0905000000-5149cc79f0ef9f86cbbe
Source of Spectrum F-50-9492-9
Wiley ID 1342520