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3,7,7-Trimethyl-2-oxepanone
SpectraBase Compound ID L0QhVm1CFbi
InChI InChI=1S/C9H16O2/c1-7-5-4-6-9(2,3)11-8(7)10/h7H,4-6H2,1-3H3
InChIKey VZWIOLXALYFWAJ-UHFFFAOYSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JJkksyO3c
Name 3,7,7-Trimethyl-2-oxepanone
Alternate Name(s) 3,7,7-Trimethyl-oxepanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-7-5-4-6-9(2,3)11-8(7)10/h7H,4-6H2,1-3H3
InChIKey VZWIOLXALYFWAJ-UHFFFAOYSA-N
Molecular Weight 156.225 g/mol
SMILES C1CCC(OC(C1C)=O)(C)C
SPLASH splash10-052f-9000000000-982f937ec49a0e5a8463
Wiley ID 1476424