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Ambercore isomer III
SpectraBase Compound ID Dw4v9qlpHW6
InChI InChI=1S/C14H28O2/c1-5-11(15)10-16-13-9-7-6-8-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKey GQBVHGLNSHPKPG-UHFFFAOYSA-N
Mol Weight 228.38 g/mol
Molecular Formula C14H28O2
Exact Mass 228.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3Atafsxf7x
Name Ambercore isomer IV
CAS Registry Number 139504-68-0
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 228.208930140 u
Formula C14H28O2
InChI InChI=1S/C14H28O2/c1-5-11(15)10-16-13-9-7-6-8-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKey GQBVHGLNSHPKPG-UHFFFAOYSA-N
Molecular Weight 228.376 g/mol
Number of Peaks 50
RI1 1569
RI2 1247
RI3 1527
RI4 1485
RI5 1556
SMILES OC(COC1C(C(C)(C)C)CCCC1)CC
SPLASH splash10-0a59-9100000000-2fe7e93fd0b0f5a249e1
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 2-Butanol, 1-[[2-(1,1-dimethylethyl)cyclohexyl]oxy]
Wiley ID LM_FFNSC3_3278