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Propanoic acid, 2-methyl-, 3-hydroxy-2,4,4-trimethylpentyl ester
SpectraBase Compound ID 4iClKfBVBbS
InChI InChI=1S/C12H24O3/c1-8(2)11(14)15-7-9(3)10(13)12(4,5)6/h8-10,13H,7H2,1-6H3
InChIKey WXFRFCWHHBELIH-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 9ccbAnUQwsZ
Name Propanoic acid, 2-methyl-, 3-hydroxy-2,4,4-trimethylpentyl ester
Alternate Name(s) (2,4,4-trimethyl-3-oxidanyl-pentyl) 2-methylpropanoate 2-Methylpropionic acid (3-hydroxy-2,4,4-trimethyl-pentyl) ester 3-Hydroxy-2,2,4-trimethylpentyl ester of isobutanoic acid 2-Methylpropanoic acid (3-hydroxy-2,4,4-trimethylpentyl) ester (3-hydroxy-2,4,4-trimethylpentyl) 2-methylpropanoate
CAS Registry Number 74367-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O3
InChI InChI=1S/C12H24O3/c1-8(2)11(14)15-7-9(3)10(13)12(4,5)6/h8-10,13H,7H2,1-6H3
InChIKey WXFRFCWHHBELIH-UHFFFAOYSA-N
Molecular Weight 216.321 g/mol
SMILES OC(C(COC(C(C)C)=O)C)C(C)(C)C
SPLASH splash10-0006-9000000000-ef70f382955a5752aef2
Source of Spectrum Va-0-0-0
Wiley ID 743168