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Propanoic acid, 2,2-dimethyl-, 2,2-dimethyl-1-[2,4,6-tris(2,2-dimethylpropyl)phenyl]propyl ester
SpectraBase Compound ID JwHyNpsz1fA
InChI InChI=1S/C31H54O2/c1-27(2,3)18-21-16-22(19-28(4,5)6)24(23(17-21)20-29(7,8)9)25(30(10,11)12)33-26(32)31(13,14)15/h16-17,25H,18-20H2,1-15H3
InChIKey MYUOKIARPNQWEZ-UHFFFAOYSA-N
Mol Weight 458.8 g/mol
Molecular Formula C31H54O2
Exact Mass 458.412381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8knTBjtCoPa
Name Propanoic acid, 2,2-dimethyl-, 2,2-dimethyl-1-[2,4,6-tris(2,2-dimethylpropyl)phenyl]propyl ester
CAS Registry Number 57243-17-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H54O2
InChI InChI=1S/C31H54O2/c1-27(2,3)18-21-16-22(19-28(4,5)6)24(23(17-21)20-29(7,8)9)25(30(10,11)12)33-26(32)31(13,14)15/h16-17,25H,18-20H2,1-15H3
InChIKey MYUOKIARPNQWEZ-UHFFFAOYSA-N
Molecular Weight 458.771 g/mol
SMILES C(c1c(cc(cc1CC(C)(C)C)CC(C)(C)C)CC(C)(C)C)(OC(C(C)(C)C)=O)C(C)(C)C
SPLASH splash10-0a4i-9002200000-ee3458502d51a722e26a
Source of Spectrum SB-29-307-0
Synonyms 2,2-Dimethyl-1-(2,4,6-trineopentylphenyl)propyl pivalate 2-[1-(2,2-dimethylpropanoyloxy)-2,2-dimethylpropyl]-1,3,5-trineopentylbenzene
Wiley ID 1390103