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2-Hydroxymethyl-2-isopentyl-1,3-propanediol
SpectraBase Compound ID UETrQpQQrg
InChI InChI=1S/C9H20O3/c1-8(2)3-4-9(5-10,6-11)7-12/h8,10-12H,3-7H2,1-2H3
InChIKey ITWHYNAZVKJPJV-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C9H20O3
Exact Mass 176.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ynygI3Suvw
Name 2-Hydroxymethyl-2-isopentyl-1,3-propanediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H20O3
InChI InChI=1S/C9H20O3/c1-8(2)3-4-9(5-10,6-11)7-12/h8,10-12H,3-7H2,1-2H3
InChIKey ITWHYNAZVKJPJV-UHFFFAOYSA-N
Molecular Weight 176.256 g/mol
SMILES OCC(CO)(CCC(C)C)CO
SPLASH splash10-01ot-9500000000-6609dc78ce60797d36c7
Source of Spectrum K-128-68-5
Synonyms 2-(hydroxymethyl)-2-isopentyl-propane-1,3-diol 2-(hydroxymethyl)-2-(3-methylbutyl)propane-1,3-diol
Wiley ID 1172207