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9-(7-Methyl-2-azepanyl)-3-nonanone
SpectraBase Compound ID HYCi85Nmt5f
InChI InChI=1S/C16H31NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h14-15,17H,3-13H2,1-2H3
InChIKey RTVFJMVVMNOFAL-UHFFFAOYSA-N
Mol Weight 253.43 g/mol
Molecular Formula C16H31NO
Exact Mass 253.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oUhXgTuDLe
Name 9-(7-Methyl-2-azepanyl)-3-nonanone
Alternate Name(s) 7-Methyl-2-(7-oxononyl)-perhydroazepine 9-(7-Methylazepan-2-yl)nonan-3-one
CAS Registry Number 112448-77-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H31NO
InChI InChI=1S/C16H31NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h14-15,17H,3-13H2,1-2H3
InChIKey RTVFJMVVMNOFAL-UHFFFAOYSA-N
Molecular Weight 253.430 g/mol
SMILES N1C(CCCCC1C)CCCCCCC(=O)CC
SPLASH splash10-03fr-1900000000-cb0028d99cd0705e35e3
Source of Spectrum F-43-1081-6
Wiley ID 1256977