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4-Chloro-1-isocyanato-2-(pent-1-ynyl)benzene
SpectraBase Compound ID 49O2OkZtgrN
InChI InChI=1S/C12H10ClNO/c1-2-3-4-5-10-8-11(13)6-7-12(10)14-9-15/h6-8H,2-3H2,1H3
InChIKey VMXIDEOFUDVENL-UHFFFAOYSA-N
Mol Weight 219.67 g/mol
Molecular Formula C12H10ClNO
Exact Mass 219.045092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48t1LoPL4y
Name 4-Chloro-1-isocyanato-2-(pent-1-ynyl)benzene
Alternate Name(s) 4-Chloro-1-isocyanato-2-(pent-1-yn-1-yl)benzene 4-Chloro-1-isocyanato-2-pent-1-ynylbenzene 4-Chloranyl-1-isocyanato-2-pent-1-ynyl-benzene
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Formula C12H10ClNO
InChI InChI=1S/C12H10ClNO/c1-2-3-4-5-10-8-11(13)6-7-12(10)14-9-15/h6-8H,2-3H2,1H3
InChIKey VMXIDEOFUDVENL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol9014877
Molecular Weight 219.671 g/mol
SMILES c1(cc(c(cc1)N=C=O)C#CCCC)Cl
SPLASH splash10-0ftf-0970000000-977823f6cab2082968e0
Source of Spectrum A1-11-4262/SMS17-1n
Wiley ID 1757161