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Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester
SpectraBase Compound ID KCRQ4unXTdQ
InChI InChI=1S/C12H24O3/c1-5-7-11(10(6-2)8-13)15-12(14)9(3)4/h9-11,13H,5-8H2,1-4H3
InChIKey SXNNFRPGPOKUEN-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 3pKFxFRttSH
Name Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester
Alternate Name(s) 2-(Hydroxymethyl)-1-propylbutyl 2-methylpropanoate 2-Methylpropanoic acid 3-(hydroxymethyl)heptan-4-yl ester 2-Methylpropionic acid (2-methylol-1-propyl-butyl) ester 3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate
CAS Registry Number 74367-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O3
InChI InChI=1S/C12H24O3/c1-5-7-11(10(6-2)8-13)15-12(14)9(3)4/h9-11,13H,5-8H2,1-4H3
InChIKey SXNNFRPGPOKUEN-UHFFFAOYSA-N
Molecular Weight 216.321 g/mol
SMILES OCC(C(OC(C(C)C)=O)CCC)CC
SPLASH splash10-00dl-9000000000-89cbac805bf91bfc6e95
Source of Spectrum Va-0-0-0
Wiley ID 740874