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2-[(4R,5S)-5-(4-Cyanobut-3-enyl)-2,2-dimethyl-1,3-dioxolane-4-yl]propan-2-yl nitrate
SpectraBase Compound ID Ac0UvD1uKPA
InChI InChI=1S/C13H20N2O5/c1-12(2,20-15(16)17)11-10(8-6-5-7-9-14)18-13(3,4)19-11/h5,7,10-11H,6,8H2,1-4H3/b7-5+/t10-,11+/m0/s1
InChIKey UJCMGRIDVPORNY-KKSDUGGKSA-N
Mol Weight 284.31 g/mol
Molecular Formula C13H20N2O5
Exact Mass 284.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3QMJHRUwlP
Name 2-[(4R,5S)-5-(4-Cyanobut-3-enyl)-2,2-dimethyl-1,3-dioxolane-4-yl]propan-2-yl nitrate
Alternate Name(s) 1-{(4R,5S)-5-[(3E)-4-cyano-3-butenyl]-2,2-dimethyl-1,3-dioxolan-4-yl}-1-methylethyl nitrate
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Formula C13H20N2O5
InChI InChI=1S/C13H20N2O5/c1-12(2,20-15(16)17)11-10(8-6-5-7-9-14)18-13(3,4)19-11/h5,7,10-11H,6,8H2,1-4H3/b7-5+/t10-,11+/m0/s1
InChIKey UJCMGRIDVPORNY-KKSDUGGKSA-N
Molecular Weight 284.312 g/mol
SMILES C(ON(=O)=O)([C@@]1(OC(C)(C)O[C@]1(CC\C=C\C#N)[H])[H])(C)C
SPLASH splash10-0a4i-5290000000-f4fdd2dc7b7624067383
Source of Spectrum KC-0-1287-18
Wiley ID 783891