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Methyl 2-Benzyl-7-oxoazepane-2-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 2-Benzyl-7-oxoazepane-2-carboxylate
SpectraBase Compound ID 1tzwgfubxms
InChI InChI=1S/C15H19NO3/c1-19-14(18)15(10-6-5-9-13(17)16-15)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,16,17)
InChIKey GCLQSBIAWHAJFB-UHFFFAOYSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cemKxVnHw5
Name Methyl 2-Benzyl-7-oxoazepane-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-19-14(18)15(10-6-5-9-13(17)16-15)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,16,17)
InChIKey GCLQSBIAWHAJFB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo300887u
Molecular Weight 261.321 g/mol
SMILES N1C(CCCCC1(Cc1ccccc1)C(=O)OC)=O
SPLASH splash10-0006-9700000000-b54542cc80c4a9f26873
Source of Spectrum J-77-6093-3c
Wiley ID 1745165