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1-(hydroxymethyl)hexyl 2,2-dimethylpropanoate
SpectraBase Compound ID 2r9WEz7qV0m
InChI InChI=1S/C12H24O3/c1-5-6-7-8-10(9-13)15-11(14)12(2,3)4/h10,13H,5-9H2,1-4H3
InChIKey QKHIJEDOEAJZFI-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 3PB19WxuM4
Name 1-(hydroxymethyl)hexyl 2,2-dimethylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O3
InChI InChI=1S/C12H24O3/c1-5-6-7-8-10(9-13)15-11(14)12(2,3)4/h10,13H,5-9H2,1-4H3
InChIKey QKHIJEDOEAJZFI-UHFFFAOYSA-N
Molecular Weight 216.321 g/mol
SMILES OCC(OC(C(C)(C)C)=O)CCCCC
SPLASH splash10-0k9i-9600000000-892ed27a4b951b003426
Source of Spectrum J-57-5033-3
Synonyms 1-Hydroxyheptan-2-yl 2,2-dimethylpropanoate 1-Oxidanylheptan-2-yl 2,2-dimethylpropanoate 2,2-Dimethylpropanoic acid 1-hydroxyheptan-2-yl ester 2,2-Dimethylpropionic acid 1-methylolhexyl ester
Wiley ID 1215629