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3-pent-3-ynyl-2-azepanone

View entire compound with spectra: 2 MS (GC)

3-pent-3-ynyl-2-azepanone
SpectraBase Compound ID Hax8DMyJZ1d
InChI InChI=1S/C11H17NO/c1-2-3-4-7-10-8-5-6-9-12-11(10)13/h10H,4-9H2,1H3,(H,12,13)
InChIKey YCJQOEYBEOZSQI-UHFFFAOYSA-N
Mol Weight 179.26 g/mol
Molecular Formula C11H17NO
Exact Mass 179.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtPwuU0tG4G
Name 3-pent-3-ynyl-2-azepanone
CAS Registry Number 124943-52-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO
InChI InChI=1S/C11H17NO/c1-2-3-4-7-10-8-5-6-9-12-11(10)13/h10H,4-9H2,1H3,(H,12,13)
InChIKey YCJQOEYBEOZSQI-UHFFFAOYSA-N
Molecular Weight 179.263 g/mol
SMILES N1CCCCC(C1=O)CCC#CC
SPLASH splash10-03di-0900000000-9409bafb9f0228ef05c8
Source of Spectrum J-55-1456-30
Synonyms 3-pent-3-ynylazepan-2-one
Wiley ID 1175424