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2-Oxepanone, 5-(1,1-dimethylethyl)-
SpectraBase Compound ID AtyjDrQtamF
InChI InChI=1S/C10H18O2/c1-10(2,3)8-4-5-9(11)12-7-6-8/h8H,4-7H2,1-3H3
InChIKey XFKCBMHHCWKGMQ-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dzk4mLkja2K
Name 2-Oxepanone, 5-(1,1-dimethylethyl)-
Alternate Name(s) 5-tert-Butyl-2-oxepanone 5-tert-Butyloxepan-2-one
CAS Registry Number 34680-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-10(2,3)8-4-5-9(11)12-7-6-8/h8H,4-7H2,1-3H3
InChIKey XFKCBMHHCWKGMQ-UHFFFAOYSA-N
Molecular Weight 170.252 g/mol
SMILES C1(OCCC(C(C)(C)C)CC1)=O
SPLASH splash10-07vi-9200000000-ab43d2ddc9d64667e210
Source of Spectrum AJ-56-2031-2
Wiley ID 1167223