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Ethyl 3-(1-Nitroethyl)-4,5-O-isopropylidenepentanoate
SpectraBase Compound ID 2nT7r1X3TKY
InChI InChI=1S/C12H21NO6/c1-5-17-11(14)6-9(8(2)13(15)16)10-7-18-12(3,4)19-10/h8-10H,5-7H2,1-4H3/t8?,9-,10+/m0/s1
InChIKey PVALYINARQGESO-CBMCFHRWSA-N
Mol Weight 275.3 g/mol
Molecular Formula C12H21NO6
Exact Mass 275.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAhwljQOPKl
Name Ethyl 3-(1-Nitroethyl)-4,5-O-isopropylidenepentanoate
Alternate Name(s) (S)-3-((S)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-4-nitro-pentanoic acid ethyl ester Ethyl 2,3-dideoxy-4,5-O-(1-methylethylidene)-3-(1-nitroethyl)pentonate (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-nitropentanoic acid ethyl ester Ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-nitropentanoate Ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-nitro-pentanoate
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Formula C12H21NO6
InChI InChI=1S/C12H21NO6/c1-5-17-11(14)6-9(8(2)13(15)16)10-7-18-12(3,4)19-10/h8-10H,5-7H2,1-4H3/t8?,9-,10+/m0/s1
InChIKey PVALYINARQGESO-CBMCFHRWSA-N
Molecular Weight 275.301 g/mol
SMILES C(N(=O)=O)([C@@]([C@@]1(OC(C)(C)OC1)[H])(CC(=O)OCC)[H])C
SPLASH splash10-0udm-3900000000-8122042e730dffbec662
Source of Spectrum J-62-4006-5
Wiley ID 1278908