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(2S,7R)-2-hexyl-7-propyl-oxepane

View entire compound with spectra: 2 MS (GC)

(2S,7R)-2-hexyl-7-propyl-oxepane
SpectraBase Compound ID F4vJcYbiK9Y
InChI InChI=1S/C15H30O/c1-3-5-6-7-11-15-13-9-8-12-14(16-15)10-4-2/h14-15H,3-13H2,1-2H3/t14-,15+/m1/s1
InChIKey DYPBWZZUWVXKCZ-CABCVRRESA-N
Mol Weight 226.4 g/mol
Molecular Formula C15H30O
Exact Mass 226.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvP7leoAoT2
Name (2S,7R)-2-hexyl-7-propyl-oxepane
CAS Registry Number 81053-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H30O
InChI InChI=1S/C15H30O/c1-3-5-6-7-11-15-13-9-8-12-14(16-15)10-4-2/h14-15H,3-13H2,1-2H3/t14-,15+/m1/s1
InChIKey DYPBWZZUWVXKCZ-CABCVRRESA-N
Molecular Weight 226.404 g/mol
SMILES [C@@]1(O[C@@](CCCC1)(CCC)[H])(CCCCCC)[H]
SPLASH splash10-000x-0900000000-85d0dad01c5a276f2f67
Source of Spectrum KC-0-88-1
Wiley ID 775873