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2-Butyl-2-ethyl-1,3-propanediol
SpectraBase Compound ID 9PQ7nphyl4w
InChI InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3
InChIKey DSKYSDCYIODJPC-UHFFFAOYSA-N
Mol Weight 160.26 g/mol
Molecular Formula C9H20O2
Exact Mass 160.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIkeCIskeDT
Name 2-Ethyl-2-butyl-1,3-propanediol
Source of Sample Sigma-Aldrich Cat. #142476
CAS Registry Number 115-84-4
Classification Pesticides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 160.146329882 u
Formula C9H20O2
InChI InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3
InChIKey DSKYSDCYIODJPC-UHFFFAOYSA-N
Molecular Weight 160.257 g/mol
Number of Peaks 101
RI1 1342
SMILES OCC(CO)(CCCC)CC
SPLASH splash10-0avl-9100000000-e65211ea45a9e64efbd0
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1,3-Propanediol, 2-butyl-2-ethyl-
Wiley ID LM_PEST_711