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2,2,5-Trimethyloxepan-4-one
SpectraBase Compound ID Fq3GaUEm9IC
InChI InChI=1S/C9H16O2/c1-7-4-5-11-9(2,3)6-8(7)10/h7H,4-6H2,1-3H3
InChIKey BNRJXRQVEQZRPI-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 HPMjTyArBe8
Name 2,2,5-Trimethyloxepan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-7-4-5-11-9(2,3)6-8(7)10/h7H,4-6H2,1-3H3
InChIKey BNRJXRQVEQZRPI-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1099-1026(1998090)13_5_295
Molecular Weight 156.225 g/mol
SMILES C1(OCCC(C(C1)=O)C)(C)C
SPLASH splash10-0zfr-6900000000-d71eb95453a2608dd908
Source of Spectrum FF-13-296-30
Synonyms 2,2,5-trimethyl-4-oxepanone
Wiley ID 1775199