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3-Cyclohexene-1-carboxylic acid, 6-[(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-
SpectraBase Compound ID FOZ9R2f6EWp
InChI InChI=1S/C18H21NO3/c20-17(14-9-2-3-10-15(14)18(21)22)19-12-6-5-8-13-7-1-4-11-16(13)19/h1-4,7,11,14-15H,5-6,8-10,12H2,(H,21,22)
InChIKey SHPABSKDSGXAQL-UHFFFAOYSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1rVVn6iZDW
Name 3-Cyclohexene-1-carboxylic acid, 6-[(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-
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Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c20-17(14-9-2-3-10-15(14)18(21)22)19-12-6-5-8-13-7-1-4-11-16(13)19/h1-4,7,11,14-15H,5-6,8-10,12H2,(H,21,22)
InChIKey SHPABSKDSGXAQL-UHFFFAOYSA-N
Molecular Weight 299.370 g/mol
SMILES OC(C1C(C(N2c3c(CCCC2)cccc3)=O)CC=CC1)=O
SPLASH splash10-0002-2920000000-0e306447d066d3c339ee
Source of Spectrum IY-1-4358-3
Synonyms 6-[oxo(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-1-cyclohex-3-enecarboxylic acid 6-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)cyclohex-3-ene-1-carboxylic acid
Wiley ID 1651566