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1,1-Ditert-butyl 2-methyl 3-phenyl-1,1,2-propanetricarboxylate
SpectraBase Compound ID GXUnyk465aP
InChI InChI=1S/C21H30O6/c1-20(2,3)26-18(23)16(19(24)27-21(4,5)6)15(17(22)25-7)13-14-11-9-8-10-12-14/h8-12,15-16H,13H2,1-7H3
InChIKey IBDAUOLWARPGFU-UHFFFAOYSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hwAU7FiXxS
Name 1,1-Ditert-butyl 2-methyl 3-phenyl-1,1,2-propanetricarboxylate
Alternate Name(s) 1-O,1-O-ditert-butyl 2-O-methyl 3-phenylpropane-1,1,2-tricarboxylate 3-Phenylpropane-1,1,2-tricarboxylic acid O1,O1-ditert-butyl ester O2-methyl ester Benzenepropanoic acid, .alpha.-bis(t-butoxycarbonylmethyl)- O1,O1-ditert-butyl O2-methyl 3-phenylpropane-1,1,2-tricarboxylate
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Formula C21H30O6
InChI InChI=1S/C21H30O6/c1-20(2,3)26-18(23)16(19(24)27-21(4,5)6)15(17(22)25-7)13-14-11-9-8-10-12-14/h8-12,15-16H,13H2,1-7H3
InChIKey IBDAUOLWARPGFU-UHFFFAOYSA-N
Molecular Weight 378.465 g/mol
SMILES CC(C)(C)OC(=O)C(C(Cc1ccccc1)C(=O)OC)C(=O)OC(C)(C)C
SPLASH splash10-08fr-8930000000-e58ffea047e60d7cd783
Wiley ID 1478782