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N-[(7-keto-1,4-diazepan-5-yl)methyl]carbamic acid tert-butyl ester
SpectraBase Compound ID LneAWRZnexh
InChI InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-7-8-6-9(15)13-5-4-12-8/h8,12H,4-7H2,1-3H3,(H,13,15)(H,14,16)/t8-/m1/s1
InChIKey KBBLIHHZXQMEBQ-MRVPVSSYSA-N
Mol Weight 243.31 g/mol
Molecular Formula C11H21N3O3
Exact Mass 243.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID As4skXO6K
Name N-[(7-keto-1,4-diazepan-5-yl)methyl]carbamic acid tert-butyl ester
Alternate Name(s) N-[(7-oxo-1,4-diazepan-5-yl)methyl]carbamic acid tert-butyl ester tert-Butyl N-[(7-oxidanylidene-1,4-diazepan-5-yl)methyl]carbamate tert-Butyl N-[(7-oxo-1,4-diazepan-5-yl)methyl]carbamate
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Formula C11H21N3O3
InChI InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-7-8-6-9(15)13-5-4-12-8/h8,12H,4-7H2,1-3H3,(H,13,15)(H,14,16)/t8-/m1/s1
InChIKey KBBLIHHZXQMEBQ-MRVPVSSYSA-N
Molecular Weight 243.307 g/mol
SMILES N(C(OC(C)(C)C)=O)C[C@]1(CC(NCCN1)=O)[H]
SPLASH splash10-03k9-9800000000-91d5681bcb838bc1a542
Source of Spectrum F-50-10708-4
Wiley ID 789424