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trans-Ozofleur
SpectraBase Compound ID 9qAy7LJ2DDO
InChI InChI=1S/C13H26O/c1-5-13(3,4)11-7-9-12(10-8-11)14-6-2/h11-12H,5-10H2,1-4H3/t11-,12-
InChIKey KDPSHFVSTJYAJQ-HAQNSBGRSA-N
Mol Weight 198.35 g/mol
Molecular Formula C13H26O
Exact Mass 198.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsRmIoVxUZB
Name trans-Ozofleur
CAS Registry Number 181258-89-9
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 198.198365456 u
Formula C13H26O
InChI InChI=1S/C13H26O/c1-5-13(3,4)11-7-9-12(10-8-11)14-6-2/h11-12H,5-10H2,1-4H3/t11-,12-
InChIKey KDPSHFVSTJYAJQ-HAQNSBGRSA-N
Molecular Weight 198.350 g/mol
Number of Peaks 50
RI1 1381
RI2 1060
RI3 954
RI4 911
RI5 1367
SMILES CC(CC)(C)[C@]1(CC[C@@](CC1)(OCC)[H])[H]
SPLASH splash10-05ar-9200000000-a7c18d6f02630bc7ea5e
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 Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, trans-
Wiley ID LM_FFNSC3_3212