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(8R / 8S)-2-Oxo-3-isopropyl-4-methyl-5,6-benzo-8-(methoxycarbonyl)-1,4-idazacyclooctane
SpectraBase Compound ID A3i6dWySZki
InChI InChI=1S/C16H22N2O3/c1-10(2)14-15(19)17-12(16(20)21-4)9-11-7-5-6-8-13(11)18(14)3/h5-8,10,12,14H,9H2,1-4H3,(H,17,19)/t12-,14+/m1/s1
InChIKey KRSZQSQPPSPESI-OCCSQVGLSA-N
Mol Weight 290.36 g/mol
Molecular Formula C16H22N2O3
Exact Mass 290.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjsoUzovVDL
Name (8R / 8S)-2-Oxo-3-isopropyl-4-methyl-5,6-benzo-8-(methoxycarbonyl)-1,4-idazacyclooctane
Alternate Name(s) (2S,5R)-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocine-5-carboxylic acid methyl ester Methyl (2S,5R)-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocine-5-carboxylate Methyl (2S,5R)-2-isopropyl-1-methyl-3-oxo-2,4,5,6-tetrahydro-1,4-benzodiazocine-5-carboxylate Methyl (2S,5R)-1-methyl-3-oxidanylidene-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocine-5-carboxylate
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Formula C16H22N2O3
InChI InChI=1S/C16H22N2O3/c1-10(2)14-15(19)17-12(16(20)21-4)9-11-7-5-6-8-13(11)18(14)3/h5-8,10,12,14H,9H2,1-4H3,(H,17,19)/t12-,14+/m1/s1
InChIKey KRSZQSQPPSPESI-OCCSQVGLSA-N
Molecular Weight 290.363 g/mol
SMILES N1[C@](Cc2c(N([C@](C1=O)(C(C)C)[H])C)cccc2)(C(=O)OC)[H]
SPLASH splash10-00lu-3490000000-3d5270ee4c45a0ea890f
Source of Spectrum C-120-12468-37
Wiley ID 1699940