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(4S)-2,3-Dicyanohexahydropyrrolo[1,2-b]isoxazol-4-yl (2E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-propenoate
SpectraBase Compound ID DrPCDlCYVmt
InChI InChI=1S/C16H19N3O5/c1-16(2)21-9-10(23-16)3-4-14(20)22-12-5-6-19-15(12)11(7-17)13(8-18)24-19/h3-4,10-13,15H,5-6,9H2,1-2H3/b4-3+/t10-,11?,12-,13?,15?/m0/s1
InChIKey QGAJVIPUBFZXLD-CLKQKVAUSA-N
Mol Weight 333.34 g/mol
Molecular Formula C16H19N3O5
Exact Mass 333.132471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Byo2ZYxgGfS
Name (4S)-2,3-Dicyanohexahydropyrrolo[1,2-b]isoxazol-4-yl (2E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-propenoate
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Formula C16H19N3O5
InChI InChI=1S/C16H19N3O5/c1-16(2)21-9-10(23-16)3-4-14(20)22-12-5-6-19-15(12)11(7-17)13(8-18)24-19/h3-4,10-13,15H,5-6,9H2,1-2H3/b4-3+/t10-,11?,12-,13?,15?/m0/s1
InChIKey QGAJVIPUBFZXLD-CLKQKVAUSA-N
Molecular Weight 333.344 g/mol
SMILES C(\C=C\[C@@]1(OC(OC1)(C)C)[H])(=O)O[C@@]1(C2N(OC(C2C#N)C#N)CC1)[H]
SPLASH splash10-01sj-9200000000-9e02d498c0c7505afb98
Source of Spectrum QC-17-295-19
Wiley ID 1638091