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1,4-Bis(hydroxyimino)-8,13-dimethyl-5,7,13,15-cyclohexadecatetraene-2,9,11-triyne

View entire compound with spectra: 1 MS (GC)

1,4-Bis(hydroxyimino)-8,13-dimethyl-5,7,13,15-cyclohexadecatetraene-2,9,11-triyne
SpectraBase Compound ID 3LYPMyPiz72
InChI InChI=1S/C18H14N2O2/c1-15-7-3-4-8-16(2)10-6-12-18(20-22)14-13-17(19-21)11-5-9-15/h5-6,9-12,21-22H,1-2H3/b11-5+,12-6+,15-9-,16-10-,19-17-,20-18-
InChIKey ZZPNETRIHNCVSL-REGDRNAXSA-N
Mol Weight 290.32 g/mol
Molecular Formula C18H14N2O2
Exact Mass 290.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2w4dw1YHWZd
Name 1,4-Bis(hydroxyimino)-8,13-dimethyl-5,7,13,15-cyclohexadecatetraene-2,9,11-triyne
Alternate Name(s) (1Z,4Z)-8,13-dimethyl-5,7,13,15-cyclohexadecatetraene-2,9,11-triyne-1,4-dione dioxime
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N2O2
InChI InChI=1S/C18H14N2O2/c1-15-7-3-4-8-16(2)10-6-12-18(20-22)14-13-17(19-21)11-5-9-15/h5-6,9-12,21-22H,1-2H3/b11-5+,12-6+,15-9-,16-10-,19-17-,20-18-
InChIKey ZZPNETRIHNCVSL-REGDRNAXSA-N
Molecular Weight 290.322 g/mol
SMILES O\N=C/1C#C\C(=N/O)\C=C\C=C/(C#CC#C\C(=C/C=C/1)C)C
SPLASH splash10-0udi-0090000000-4d419beb8279cdcffa6d
Source of Spectrum AJ-66-2327-9
Wiley ID 772199