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2-(tert-Butoxycarbonyl)-5-chlorohexahydro-1H-diazepine-3-carboxylic acid methyl ester
SpectraBase Compound ID 94OgxVty1OS
InChI InChI=1S/C12H21ClN2O4/c1-12(2,3)19-11(17)15-9(10(16)18-4)7-8(13)5-6-14-15/h8-9,14H,5-7H2,1-4H3
InChIKey HYWPXIWFUQDJGG-UHFFFAOYSA-N
Mol Weight 292.76 g/mol
Molecular Formula C12H21ClN2O4
Exact Mass 292.118985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gFL0SXSK4W
Name 2-(tert-Butoxycarbonyl)-5-chlorohexahydro-1H-diazepine-3-carboxylic acid methyl ester
Alternate Name(s) 1-tert-Butyl 7-methyl 5-chlorohexahydro-1H-1,2-diazepine-1,7-dicarboxylate
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Formula C12H21ClN2O4
InChI InChI=1S/C12H21ClN2O4/c1-12(2,3)19-11(17)15-9(10(16)18-4)7-8(13)5-6-14-15/h8-9,14H,5-7H2,1-4H3
InChIKey HYWPXIWFUQDJGG-UHFFFAOYSA-N
Molecular Weight 292.763 g/mol
SMILES N1CCC(CC(N1C(OC(C)(C)C)=O)C(=O)OC)Cl
SPLASH splash10-001i-0900000000-ec0cdbe2c6774fd6010c
Source of Spectrum F-49-8626-74
Wiley ID 788288