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(+)-Ethyl 2-[(6R)-4-benzyl-6-cyano-1,4-diazepan-1-yl]acetate
SpectraBase Compound ID Fau2qs6xOuJ
InChI InChI=1S/C17H23N3O2/c1-2-22-17(21)14-20-9-8-19(12-16(10-18)13-20)11-15-6-4-3-5-7-15/h3-7,16H,2,8-9,11-14H2,1H3/t16-/m1/s1
InChIKey LJJCGBZVKNKWOS-MRXNPFEDSA-N
Mol Weight 301.39 g/mol
Molecular Formula C17H23N3O2
Exact Mass 301.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BV3kTyzyz
Name (+)-Ethyl 2-[(6R)-4-benzyl-6-cyano-1,4-diazepan-1-yl]acetate
Alternate Name(s) (R)-ethyl 2-(4-benzyl-6-cyano-1,4-diazepan-1-yl)acetate 2-[(6R)-6-cyano-4-(phenylmethyl)-1,4-diazepan-1-yl]acetic acid ethyl ester Ethyl 2-[(6R)-4-benzyl-6-cyano-1,4-diazepan-1-yl]acetate Ethyl 2-[(6R)-6-cyano-4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoate
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Formula C17H23N3O2
InChI InChI=1S/C17H23N3O2/c1-2-22-17(21)14-20-9-8-19(12-16(10-18)13-20)11-15-6-4-3-5-7-15/h3-7,16H,2,8-9,11-14H2,1H3/t16-/m1/s1
InChIKey LJJCGBZVKNKWOS-MRXNPFEDSA-N
Molecular Weight 301.390 g/mol
SMILES C1N(CCN(C[C@]1(C#N)[H])Cc1ccccc1)CC(=O)OCC
SPLASH splash10-0006-9052000000-7c27b9aba60b8a0c949f
Source of Spectrum EMC-41-391-9a
Wiley ID 1735005