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2-[4-(isocyanomethyl)phenyl]acetic acid methyl ester
SpectraBase Compound ID KuZUYIBJkxr
InChI InChI=1S/C11H11NO2/c1-12-8-10-5-3-9(4-6-10)7-11(13)14-2/h3-6H,7-8H2,2H3
InChIKey ZVBZTIQHJOYXBK-UHFFFAOYSA-N
Mol Weight 189.21 g/mol
Molecular Formula C11H11NO2
Exact Mass 189.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9V0KaPcOgvI
Name 2-[4-(isocyanomethyl)phenyl]acetic acid methyl ester
Alternate Name(s) Methyl 2-[4-(isocyanomethyl)phenyl]acetate Methyl 2-[4-(isocyanomethyl)phenyl]ethanoate
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Formula C11H11NO2
InChI InChI=1S/C11H11NO2/c1-12-8-10-5-3-9(4-6-10)7-11(13)14-2/h3-6H,7-8H2,2H3
InChIKey ZVBZTIQHJOYXBK-UHFFFAOYSA-N
Molecular Weight 189.214 g/mol
SMILES C(Cc1ccc(cc1)C[N+]#[C-])(=O)OC
SPLASH splash10-0f8i-0900000000-5e4020683c6b162ea904
Source of Spectrum F4-0-408-4
Wiley ID 1619288