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1-Benzyl-2-(tert-Butoxycarbonyl)-5-chlorohexahydro-1H-diazepine-3-carboxylic acid methyl ester
SpectraBase Compound ID FM1Ozfy0E
InChI InChI=1S/C19H27ClN2O4/c1-19(2,3)26-18(24)22-16(17(23)25-4)12-15(20)10-11-21(22)13-14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3
InChIKey GDEUUPJGWYVSSR-UHFFFAOYSA-N
Mol Weight 382.89 g/mol
Molecular Formula C19H27ClN2O4
Exact Mass 382.165935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UCVOXascvj
Name 1-Benzyl-2-(tert-Butoxycarbonyl)-5-chlorohexahydro-1H-diazepine-3-carboxylic acid methyl ester
Alternate Name(s) 1-tert-Butyl 7-methyl 2-benzyl-5-chlorohexahydro-1H-1,2-diazepine-1,7-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27ClN2O4
InChI InChI=1S/C19H27ClN2O4/c1-19(2,3)26-18(24)22-16(17(23)25-4)12-15(20)10-11-21(22)13-14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3
InChIKey GDEUUPJGWYVSSR-UHFFFAOYSA-N
Molecular Weight 382.888 g/mol
SMILES C1(N(N(CCC(C1)Cl)Cc1ccccc1)C(OC(C)(C)C)=O)C(=O)OC
SPLASH splash10-000x-9052000000-981076d1186b11501657
Source of Spectrum F-49-8626-69
Wiley ID 788291