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2,2',3,3'-Tetra-tert-butyldihydrofulvalene
SpectraBase Compound ID 40mP7yhU1Od
InChI InChI=1S/C26H42/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/h13-18H,1-12H3
InChIKey XCCIKRQSCARTIG-UHFFFAOYSA-N
Mol Weight 354.6 g/mol
Molecular Formula C26H42
Exact Mass 354.328651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2e0S9W9xzLX
Name 2,2',3,3'-Tetra-tert-butyldihydrofulvalene
Alternate Name(s) 2,3-di-tert-butyl-5-(3,4-di-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene
Comments Less than 3 mono-isotopic peaks
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Formula C26H42
InChI InChI=1S/C26H42/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/h13-18H,1-12H3
InChIKey XCCIKRQSCARTIG-UHFFFAOYSA-N
Molecular Weight 354.622 g/mol
SMILES C=1(C(=CC(C1)C1C=C(C(C)(C)C)C(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C
SPLASH splash10-0006-0092000000-84852c1a54b913a4d594
Source of Spectrum F4-0-3376-6
Wiley ID 1619157