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2,4,5-tri-tert-butyl-1-oxo-2,4-cyclopentadien-3-carbonsaure-tert-butylester
SpectraBase Compound ID EJH9ekTnxEI
InChI InChI=1S/C22H36O3/c1-19(2,3)14-13(18(24)25-22(10,11)12)15(20(4,5)6)17(23)16(14)21(7,8)9/h1-12H3
InChIKey DEJOZYHLTYUWDT-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRl5X1avMJm
Name 2,4,5-tri-tert-butyl-1-oxo-2,4-cyclopentadien-3-carbonsaure-tert-butylester
Alternate Name(s) tert-Butyl 2,4,5-tritert-butyl-3-oxo-1,4-cyclopentadiene-1-carboxylate
CAS Registry Number 102261-35-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-19(2,3)14-13(18(24)25-22(10,11)12)15(20(4,5)6)17(23)16(14)21(7,8)9/h1-12H3
InChIKey DEJOZYHLTYUWDT-UHFFFAOYSA-N
Molecular Weight 348.527 g/mol
SMILES C=1(C(=C(C(C)(C)C)C(C1C(C)(C)C)=O)C(C)(C)C)C(OC(C)(C)C)=O
SPLASH splash10-0a4l-9030000000-565cf2cd0e66a25d9708
Source of Spectrum K-119-2169-20
Wiley ID 1341010