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(S)-(+)-1-Cyano-1-(3,4-methylenedioxyphenyl)methyl acetate
SpectraBase Compound ID 1wxqPOGf8GA
InChI InChI=1S/C11H9NO4/c1-7(13)16-11(5-12)8-2-3-9-10(4-8)15-6-14-9/h2-4,11H,6H2,1H3/t11-/m1/s1
InChIKey QLJQZNQAUINIDB-LLVKDONJSA-N
Mol Weight 219.2 g/mol
Molecular Formula C11H9NO4
Exact Mass 219.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlOI4pJKFhA
Name (S)-(+)-1-Cyano-1-(3,4-methylenedioxyphenyl)methyl acetate
Alternate Name(s) Acetic acid[(S)-1,3-benzodioxol-5-yl(cyano)methyl]ester [(S)-1,3-benzodioxol-5-yl(cyano)methyl]acetate [(S)-1,3-benzodioxol-5-yl(cyano)methyl]ethanoate [(S)-1,3-benzodioxol-5-yl(cyano)methyl] acetate [(S)-1,3-benzodioxol-5-yl(cyano)methyl] ethanoate
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Formula C11H9NO4
InChI InChI=1S/C11H9NO4/c1-7(13)16-11(5-12)8-2-3-9-10(4-8)15-6-14-9/h2-4,11H,6H2,1H3/t11-/m1/s1
InChIKey QLJQZNQAUINIDB-LLVKDONJSA-N
Molecular Weight 219.196 g/mol
SMILES C(#N)[C@](c1cc2OCOc2cc1)(OC(=O)C)[H]
SPLASH splash10-07fu-3910000000-ea818deb0d24dba087af
Source of Spectrum AJ-65-117-3
Wiley ID 771284