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(E)-1-[2-(3,3-Dimethyltriaz-1-enyl)-5-(phenylethynyl)phenyl]-2,2-dimethyl-3-phenylpropane-1,3-dione
SpectraBase Compound ID 5W8bxHNmbTA
InChI InChI=1S/C27H25N3O2/c1-27(2,25(31)22-13-9-6-10-14-22)26(32)23-19-21(16-15-20-11-7-5-8-12-20)17-18-24(23)28-29-30(3)4/h5-14,17-19H,1-4H3/b29-28+
InChIKey NNSQCPKVDTYWKX-ZQHSETAFSA-N
Mol Weight 423.52 g/mol
Molecular Formula C27H25N3O2
Exact Mass 423.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClMoq9IM5fG
Name (E)-1-[2-(3,3-Dimethyltriaz-1-enyl)-5-(phenylethynyl)phenyl]-2,2-dimethyl-3-phenylpropane-1,3-dione
Alternate Name(s) (E)-1-(2-(3,3-dimethyltriaz-1-en-1-yl)-5-(phenylethynyl)phenyl)-2,2-dimethyl-3-phenylpropane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N3O2
InChI InChI=1S/C27H25N3O2/c1-27(2,25(31)22-13-9-6-10-14-22)26(32)23-19-21(16-15-20-11-7-5-8-12-20)17-18-24(23)28-29-30(3)4/h5-14,17-19H,1-4H3/b29-28+
InChIKey NNSQCPKVDTYWKX-ZQHSETAFSA-N
Molecular Weight 423.516 g/mol
SMILES C(C(c1c(\N=N\N(C)C)ccc(C#Cc2ccccc2)c1)=O)(C(=O)c1ccccc1)(C)C
SPLASH splash10-0a6r-4900000000-b8923239eb84d3731c1c
Source of Spectrum U1-2013-7417-3q
Wiley ID 1736214