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2,2',3,3'-Tetra-tert-butylfulvalene
SpectraBase Compound ID LYG5YvJm8on
InChI InChI=1S/C26H40/c1-23(2,3)19-13-17(14-20(19)24(4,5)6)18-15-21(25(7,8)9)22(16-18)26(10,11)12/h13-16H,1-12H3
InChIKey RKCNDKZJIBNYMW-UHFFFAOYSA-N
Mol Weight 352.6 g/mol
Molecular Formula C26H40
Exact Mass 352.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaeqTjM4Jom
Name 2,2',3,3'-Tetra-tert-butylfulvalene
Alternate Name(s) 2,3-di-tert-butyl-5-(3,4-di-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene
Comments Less than 3 mono-isotopic peaks
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Formula C26H40
InChI InChI=1S/C26H40/c1-23(2,3)19-13-17(14-20(19)24(4,5)6)18-15-21(25(7,8)9)22(16-18)26(10,11)12/h13-16H,1-12H3
InChIKey RKCNDKZJIBNYMW-UHFFFAOYSA-N
Molecular Weight 352.606 g/mol
SMILES C=1(C(=CC(=C2C=C(C(C)(C)C)C(=C2)C(C)(C)C)C1)C(C)(C)C)C(C)(C)C
SPLASH splash10-0pb9-9005000000-ef63709249463b7ce288
Source of Spectrum F4-0-3376-7
Wiley ID 1619155