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12-(3-Pyrazolyl)dodeca-7(E/Z),9(E)-dien-11-yl 11-acetate
SpectraBase Compound ID 5HX4WDsRBRV
InChI InChI=1S/C17H14N2O2/c1-15(21-16(2)20)11-9-7-5-3-4-6-8-10-12-17-13-14-18-19-17/h5,7,9,11,13-15H,1-2H3,(H,18,19)/b7-5+,11-9+
InChIKey QVNMZYLXFQRRMD-JEGFTUTRSA-N
Mol Weight 278.31 g/mol
Molecular Formula C17H14N2O2
Exact Mass 278.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNJvNeLfsSL
Name 12-(3-Pyrazolyl)dodeca-7(E/Z),9(E)-dien-11-yl 11-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2O2
InChI InChI=1S/C17H14N2O2/c1-15(21-16(2)20)11-9-7-5-3-4-6-8-10-12-17-13-14-18-19-17/h5,7,9,11,13-15H,1-2H3,(H,18,19)/b7-5+,11-9+
InChIKey QVNMZYLXFQRRMD-JEGFTUTRSA-N
Molecular Weight 278.311 g/mol
SMILES [nH]1ccc(n1)C#CC#CC#C\C=C\C=C\C(OC(C)=O)C
SPLASH splash10-014r-0090000000-3c80ae2dfa794ccfa68b
Source of Spectrum E1-38-5021-7
Synonyms 12-(Pyrazol-3-yl)-3,5-dodecadiene-7,9,11-triyn-2-yl acetate (2E,4E)-1-methyl-11-(1H-pyrazol-3-yl)-2,4-undecadiene-6,8,10-triynyl acetate
Wiley ID 1598555