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3,7-DIMETHYL-1,7-OCTANEDIOL
SpectraBase Compound ID CEr7smfzeOK
InChI InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3
InChIKey FPCCDPXRNNVUOM-UHFFFAOYSA-N
Mol Weight 174.28 g/mol
Molecular Formula C10H22O2
Exact Mass 174.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1bOIIZFBgu
Name Hydroxycitronellol
CAS Registry Number 107-74-4
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 174.161979946 u
Formula C10H22O2
InChI InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3
InChIKey FPCCDPXRNNVUOM-UHFFFAOYSA-N
Molecular Weight 174.284 g/mol
Number of Peaks 48
RI1 1359
RI2 1037
RI3 1577
RI4 1538
SMILES OCCC(CCCC(C)(O)C)C
SPLASH splash10-0a4i-9000000000-4a62e6409abebff83b93
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1,7-Octanediol, 3,7-dimethyl-
Wiley ID LM_FFNSC3_1273