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2-Oxepanemethanol, 7-hexyl-, (2S-trans)-
SpectraBase Compound ID D9IKRdtdiD8
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+/m1/s1
InChIKey APUGJDUDUBXCJG-OLZOCXBDSA-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 CPNQxgjU5cz
Name 2-Oxepanemethanol, 7-hexyl-, (2S-trans)-
CAS Registry Number 123237-57-0
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+/m1/s1
InChIKey APUGJDUDUBXCJG-OLZOCXBDSA-N
Molecular Weight 214.349 g/mol
SMILES OC[C@]1(O[C@](CCCCCC)(CCCC1)[H])[H]
SPLASH splash10-00lr-8900000000-d51daaf4c0c12176ddf3
Source of Spectrum J-54-5158-16
Synonyms (2S,7R)-7-hexyl-2-(hydroxymethyl)-1-oxacycloheptane [(2S,7R)-7-hexyloxepanyl]methanol
Wiley ID 1213903