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Oxepane, 2-hexyl-7-[2-(phenylmethoxy)ethyl]-, (2R-cis)-
SpectraBase Compound ID E0RzkrpRvMx
InChI InChI=1S/C21H34O2/c1-2-3-4-8-13-20-14-9-10-15-21(23-20)16-17-22-18-19-11-6-5-7-12-19/h5-7,11-12,20-21H,2-4,8-10,13-18H2,1H3/t20-,21-/m1/s1
InChIKey DFQLCGGQNMGFED-NHCUHLMSSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CusfWbR2XgM
Name Oxepane, 2-hexyl-7-[2-(phenylmethoxy)ethyl]-, (2R-cis)-
Alternate Name(s) (2R,7R)-2-[2-(benzyloxy)ethyl]-7-hexyl-1-oxacycloheptane (2R,7R)-2-[2-(benzyloxy)ethyl]-7-hexyloxepane benzyl 2-[(2R,7R)-7-hexyloxepanyl]ethyl ether
CAS Registry Number 123151-74-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-2-3-4-8-13-20-14-9-10-15-21(23-20)16-17-22-18-19-11-6-5-7-12-19/h5-7,11-12,20-21H,2-4,8-10,13-18H2,1H3/t20-,21-/m1/s1
InChIKey DFQLCGGQNMGFED-NHCUHLMSSA-N
Molecular Weight 318.501 g/mol
SMILES [C@@]1(O[C@@](CCCC1)(CCCCCC)[H])(CCOCc1ccccc1)[H]
SPLASH splash10-055f-7921000000-1607ed21aedaf6cc7ed8
Source of Spectrum J-54-5159-24
Wiley ID 1319009