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(E)-5-[(4S,5R)-2,2-dimethyl-5-(1-methyl-1-nitrooxy-ethyl)-1,3-dioxolan-4-yl]pent-2-enoic acid ethyl ester
SpectraBase Compound ID KJTS8Rgk2ZU
InChI InChI=1S/C15H25NO7/c1-6-20-12(17)10-8-7-9-11-13(22-15(4,5)21-11)14(2,3)23-16(18)19/h8,10-11,13H,6-7,9H2,1-5H3/b10-8+/t11-,13+/m0/s1
InChIKey HRGGNRRLRJPRCF-YRFMYUJQSA-N
Mol Weight 331.37 g/mol
Molecular Formula C15H25NO7
Exact Mass 331.163102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yg484PeanB
Name (E)-5-[(4S,5R)-2,2-dimethyl-5-(1-methyl-1-nitrooxy-ethyl)-1,3-dioxolan-4-yl]pent-2-enoic acid ethyl ester
Alternate Name(s) (E)-5-[(4S,5R)-2,2-dimethyl-5-(2-nitrooxypropan-2-yl)-1,3-dioxolan-4-yl]-2-pentenoic acid ethyl ester Ethyl (E)-5-[(4S,5R)-2,2-dimethyl-5-(1-methyl-1-nitrooxy-ethyl)-1,3-dioxolan-4-yl]pent-2-enoate Ethyl (E)-5-[(4S,5R)-2,2-dimethyl-5-(2-nitrooxypropan-2-yl)-1,3-dioxolan-4-yl]pent-2-enoate
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Formula C15H25NO7
InChI InChI=1S/C15H25NO7/c1-6-20-12(17)10-8-7-9-11-13(22-15(4,5)21-11)14(2,3)23-16(18)19/h8,10-11,13H,6-7,9H2,1-5H3/b10-8+/t11-,13+/m0/s1
InChIKey HRGGNRRLRJPRCF-YRFMYUJQSA-N
Molecular Weight 331.365 g/mol
SMILES C(ON(=O)=O)([C@@]1(OC(C)(C)O[C@]1(CC\C=C\C(=O)OCC)[H])[H])(C)C
SPLASH splash10-0aor-9088000000-1dc2c764966bb5fbf964
Source of Spectrum KC-0-1287-16
Wiley ID 783894