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(E)-3-(Azidomethyl)-6-(4-chlorophenyl)hex-3-en-5-yn-2-one
SpectraBase Compound ID 89xyyynNh6A
InChI InChI=1S/C13H10ClN3O/c1-10(18)12(9-16-17-15)4-2-3-11-5-7-13(14)8-6-11/h4-8H,9H2,1H3/b12-4+
InChIKey RXGYPZDAIRCYHX-UUILKARUSA-N
Mol Weight 259.7 g/mol
Molecular Formula C13H10ClN3O
Exact Mass 259.05124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nyQNdhfLJx
Name (E)-3-(Azidomethyl)-6-(4-chlorophenyl)hex-3-en-5-yn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10ClN3O
InChI InChI=1S/C13H10ClN3O/c1-10(18)12(9-16-17-15)4-2-3-11-5-7-13(14)8-6-11/h4-8H,9H2,1H3/b12-4+
InChIKey RXGYPZDAIRCYHX-UUILKARUSA-N
Molecular Weight 259.696 g/mol
SMILES C(N=[N+]=[N-])\C(=C/C#Cc1ccc(cc1)Cl)C(=O)C
SPLASH splash10-02u0-0490000000-9d2dfa831e7ed59ec280
Source of Spectrum F-66-3495-4h
Wiley ID 1683100