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n-Propyl o-Isocyano-m,p-dimethoxybenzoate
SpectraBase Compound ID LoruSbxGpfS
InChI InChI=1S/C13H15NO4/c1-5-8-18-13(15)9-6-7-10(16-3)12(17-4)11(9)14-2/h6-7H,5,8H2,1,3-4H3
InChIKey JBOHVLACSWGOEL-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5BiyPzSJGQ
Name n-Propyl o-Isocyano-m,p-dimethoxybenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-5-8-18-13(15)9-6-7-10(16-3)12(17-4)11(9)14-2/h6-7H,5,8H2,1,3-4H3
InChIKey JBOHVLACSWGOEL-UHFFFAOYSA-N
Molecular Weight 249.266 g/mol
SMILES C(c1c(c(c(cc1)OC)OC)[N+]#[C-])(=O)OCCC
SPLASH splash10-0a4i-0090000000-339fad27ca14287b1bc1
Source of Spectrum C4-2001-603-3
Synonyms propyl 2-isocyano-3,4-dimethoxybenzoate
Wiley ID 1520046