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6-carbethoxy-3-methyl-1-(1,3,4,5,6,7-hexahydro-2H-2-oxoazepin-1-yl)-2-cyclohexene
SpectraBase Compound ID 2oEJig2NeBx
InChI InChI=1S/C16H25NO3/c1-3-20-16(19)13-9-8-12(2)11-14(13)17-10-6-4-5-7-15(17)18/h11,13-14H,3-10H2,1-2H3
InChIKey RRFDFUXPQAQJOU-UHFFFAOYSA-N
Mol Weight 279.38 g/mol
Molecular Formula C16H25NO3
Exact Mass 279.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IRkVrxyAkf
Name 6-carbethoxy-3-methyl-1-(1,3,4,5,6,7-hexahydro-2H-2-oxoazepin-1-yl)-2-cyclohexene
Alternate Name(s) 6-Carbethoxy-3-methyl-1-(1,3,4,5,6,7-hexahydro-2H-azepin-1-yl)-2-cyclohexene Ethyl 4-methyl-2-(2-oxohexahydro-1H-azepin-1-yl)-3-cyclohexene-1-carboxylate
CAS Registry Number 112683-13-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO3
InChI InChI=1S/C16H25NO3/c1-3-20-16(19)13-9-8-12(2)11-14(13)17-10-6-4-5-7-15(17)18/h11,13-14H,3-10H2,1-2H3
InChIKey RRFDFUXPQAQJOU-UHFFFAOYSA-N
Molecular Weight 279.380 g/mol
SMILES C1(N2C(=O)CCCCC2)C(C(=O)OCC)CCC(=C1)C
SPLASH splash10-0006-9110000000-882ed11a6eb1b2925a1f
Source of Spectrum J-53-1167-27
Wiley ID 1283066