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(2S*,7R*)-2-Hexyl-7-hydroxymethyloxepane

View entire compound with spectra: 1 MS (GC)

(2S*,7R*)-2-Hexyl-7-hydroxymethyloxepane
SpectraBase Compound ID ImEq3YlVcR6
InChI InChI=1S/C13H26O2/c1-2-3-4-5-8-12-9-6-7-10-13(11-14)15-12/h12-14H,2-11H2,1H3/t12-,13+/m0/s1
InChIKey APUGJDUDUBXCJG-QWHCGFSZSA-N
Mol Weight 214.35 g/mol
Molecular Formula C13H26O2
Exact Mass 214.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12FSPDVxy3B
Name (2S*,7R*)-2-Hexyl-7-hydroxymethyloxepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O2
InChI InChI=1S/C13H26O2/c1-2-3-4-5-8-12-9-6-7-10-13(11-14)15-12/h12-14H,2-11H2,1H3/t12-,13+/m0/s1
InChIKey APUGJDUDUBXCJG-QWHCGFSZSA-N
Molecular Weight 214.349 g/mol
SMILES OC[C@@]1(O[C@@](CCCCCC)(CCCC1)[H])[H]
SPLASH splash10-0a6r-9600000000-1ae1f8c67c646ce00d2f
Source of Spectrum KC-0-87-17
Synonyms [(2R,7S)-7-hexyloxepanyl]methanol
Wiley ID 775877