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t-Butyl 7-iodo-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c]-[1,4]benzodiazepine-10-carboxylate
SpectraBase Compound ID AgEjTFehHpM
InChI InChI=1S/C17H19IN2O4/c1-17(2,3)24-16(23)20-12-7-6-10(18)9-11(12)14(21)19-8-4-5-13(19)15(20)22/h6-7,9,13H,4-5,8H2,1-3H3
InChIKey CJBRDRLGJITTQE-UHFFFAOYSA-N
Mol Weight 442.25 g/mol
Molecular Formula C17H19IN2O4
Exact Mass 442.038952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CItG7uqel96
Name t-Butyl 7-iodo-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c]-[1,4]benzodiazepine-10-carboxylate
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Formula C17H19IN2O4
InChI InChI=1S/C17H19IN2O4/c1-17(2,3)24-16(23)20-12-7-6-10(18)9-11(12)14(21)19-8-4-5-13(19)15(20)22/h6-7,9,13H,4-5,8H2,1-3H3
InChIKey CJBRDRLGJITTQE-UHFFFAOYSA-N
Molecular Weight 442.253 g/mol
SMILES C1(N(c2c(C(N3C1CCC3)=O)cc(cc2)I)C(=O)OC(C)(C)C)=O
SPLASH splash10-0596-9001000000-159cde17e4ddec844520
Source of Spectrum B-51-1129-36
Synonyms tert-Butyl 7-iodo-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-10(5H)-carboxylate
Wiley ID 746047