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2-Isopropyl-1,3-propanediol
SpectraBase Compound ID Hu5x5SXjYUf
InChI InChI=1S/C6H14O2/c1-5(2)6(3-7)4-8/h5-8H,3-4H2,1-2H3
InChIKey VVOISBSEMFDYNE-UHFFFAOYSA-N
Mol Weight 118.18 g/mol
Molecular Formula C6H14O2
Exact Mass 118.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5whE52GWvjf
Name 2-isopropyl-1,3-propanediol
Alternate Name(s) 2-isopropylpropane-1,3-diol 2-Propan-2-ylpropane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H14O2
InChI InChI=1S/C6H14O2/c1-5(2)6(3-7)4-8/h5-8H,3-4H2,1-2H3
InChIKey VVOISBSEMFDYNE-UHFFFAOYSA-N
Molecular Weight 118.176 g/mol
SMILES OCC(CO)C(C)C
SPLASH splash10-0abc-9000000000-c9b259759898a2700540
Source of Spectrum J-56-6465-18
Wiley ID 1126579