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2-(4-Hydroxybutyl)oxepan-3-one
SpectraBase Compound ID UYIROaDXtS
InChI InChI=1S/C10H18O3/c11-7-3-1-6-10-9(12)5-2-4-8-13-10/h10-11H,1-8H2/t10-/m0/s1
InChIKey FISZXXIUFTYRPV-JTQLQIEISA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9McCDCSI3Oq
Name 2-(4-Hydroxybutyl)oxepan-3-one
Alternate Name(s) 2-(4-hydroxybutyl)-3-oxepanone 2-(4-oxidanylbutyl)oxepan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c11-7-3-1-6-10-9(12)5-2-4-8-13-10/h10-11H,1-8H2/t10-/m0/s1
InChIKey FISZXXIUFTYRPV-JTQLQIEISA-N
Molecular Weight 186.251 g/mol
SMILES OCCCC[C@@]1(OCCCCC1=O)[H]
SPLASH splash10-000l-9000000000-51933537b4295ad2cd13
Source of Spectrum KC-0-504-6
Wiley ID 780515