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Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester
SpectraBase Compound ID 8cyOh6TvrR9
InChI InChI=1S/C12H24O3/c1-8(2)11(14)15-10(9(3)7-13)12(4,5)6/h8-10,13H,7H2,1-6H3
InChIKey YXISVHDWGVMPGJ-UHFFFAOYSA-N
Mol Weight 216.32 g/mol
Molecular Formula C12H24O3
Exact Mass 216.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GMoVovQA05
Name Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester
Alternate Name(s) (1-hydroxy-2,4,4-trimethylpentan-3-yl) 2-methylpropanoate (2,4,4-trimethyl-1-oxidanyl-pentan-3-yl) 2-methylpropanoate 2-Methylpropanoic acid (1-hydroxy-2,4,4-trimethylpentan-3-yl) ester [1-(2-hydroxy-1-methyl-ethyl)-2,2-dimethyl-propyl] 2-methylpropanoate
CAS Registry Number 74367-33-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O3
InChI InChI=1S/C12H24O3/c1-8(2)11(14)15-10(9(3)7-13)12(4,5)6/h8-10,13H,7H2,1-6H3
InChIKey YXISVHDWGVMPGJ-UHFFFAOYSA-N
Molecular Weight 216.321 g/mol
SMILES OCC(C(OC(C(C)C)=O)C(C)(C)C)C
SPLASH splash10-05fu-9000000000-8941f17b83fc0dc975d7
Source of Spectrum Va-0-0-0
Wiley ID 743045