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n-Butyl 2-Isocyanobenzoate

View entire compound with spectra: 2 MS (GC)

n-Butyl 2-Isocyanobenzoate
SpectraBase Compound ID 57lWlvHxv9K
InChI InChI=1S/C12H13NO2/c1-3-4-9-15-12(14)10-7-5-6-8-11(10)13-2/h5-8H,3-4,9H2,1H3
InChIKey QXPIGSABTCANHZ-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID euWs44jBdD
Name n-Butyl 2-Isocyanobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-3-4-9-15-12(14)10-7-5-6-8-11(10)13-2/h5-8H,3-4,9H2,1H3
InChIKey QXPIGSABTCANHZ-UHFFFAOYSA-N
Molecular Weight 203.241 g/mol
SMILES c1(C(=O)OCCCC)c([N+]#[C-])cccc1
SPLASH splash10-0ue9-0900000000-469461d6df7552eaf362
Source of Spectrum C4-2001-603-3
Synonyms n-Butyl o-Isocyanobenzoate Butyl 2-isocyanobenzoate
Wiley ID 1520080