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3,3-Dimethyl-6-penta-1,4-diyn-3-ylidene-cyclohexa-1,4-diene
SpectraBase Compound ID KwohzqgVzWf
InChI InChI=1S/C13H12/c1-5-11(6-2)12-7-9-13(3,4)10-8-12/h1-2,7-10H,3-4H3
InChIKey ZKJRJSRHRQHLTJ-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C13H12
Exact Mass 168.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArfgeHfXcbA
Name 3,3-Dimethyl-6-penta-1,4-diyn-3-ylidene-cyclohexa-1,4-diene
Alternate Name(s) 6-(1-Ethynylprop-2-ynylidene)-3,3-dimethyl-cyclohexa-1,4-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12
InChI InChI=1S/C13H12/c1-5-11(6-2)12-7-9-13(3,4)10-8-12/h1-2,7-10H,3-4H3
InChIKey ZKJRJSRHRQHLTJ-UHFFFAOYSA-N
Molecular Weight 168.239 g/mol
SMILES C1(=C(C#C)C#C)C=CC(C=C1)(C)C
SPLASH splash10-0udi-0900000000-e9b2cd9d0fa8ca84fc7a
Source of Spectrum U1-2002-1717-10
Wiley ID 1522572