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4-(2'-Azidophenyl)-3-(cyanomethyl)-3-buten-2-one
SpectraBase Compound ID HOMDoK2rmE2
InChI InChI=1S/C12H10N4O/c1-9(17)10(6-7-13)8-11-4-2-3-5-12(11)15-16-14/h2-5,8H,6H2,1H3/b10-8-
InChIKey DVZDINVXXMTKAZ-NTMALXAHSA-N
Mol Weight 226.24 g/mol
Molecular Formula C12H10N4O
Exact Mass 226.085461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OJ3L0FiYZQ
Name 4-(2'-Azidophenyl)-3-(cyanomethyl)-3-buten-2-one
Alternate Name(s) (3Z)-3-acetyl-4-(2-azidophenyl)-3-butenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N4O
InChI InChI=1S/C12H10N4O/c1-9(17)10(6-7-13)8-11-4-2-3-5-12(11)15-16-14/h2-5,8H,6H2,1H3/b10-8-
InChIKey DVZDINVXXMTKAZ-NTMALXAHSA-N
Molecular Weight 226.239 g/mol
SMILES c1(N=[N+]=[N-])c(\C=C/(C(=O)C)CC#N)cccc1
SPLASH splash10-0561-0900000000-78ed9e378c3171914e99
Source of Spectrum Y-40-1105-5
Wiley ID 1567268