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t-Butyl 11-hydroxy-7-iodo-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c]-[1,4]benzodiazepine-10-carboxylate
SpectraBase Compound ID HbliwulDWkN
InChI InChI=1S/C17H21IN2O4/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/h6-7,9,13,15,22H,4-5,8H2,1-3H3
InChIKey NSFBNBLLYPEVQV-UHFFFAOYSA-N
Mol Weight 444.27 g/mol
Molecular Formula C17H21IN2O4
Exact Mass 444.054602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44ZCwsdfiEk
Name t-Butyl 11-hydroxy-7-iodo-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c]-[1,4]benzodiazepine-10-carboxylate
Alternate Name(s) tert-Butyl 11-hydroxy-7-iodo-5-oxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-10(5H)-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21IN2O4
InChI InChI=1S/C17H21IN2O4/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/h6-7,9,13,15,22H,4-5,8H2,1-3H3
InChIKey NSFBNBLLYPEVQV-UHFFFAOYSA-N
Molecular Weight 444.269 g/mol
SMILES OC1N(c2c(C(N3C1CCC3)=O)cc(cc2)I)C(=O)OC(C)(C)C
SPLASH splash10-05fr-9000000000-9874477e799dbf18101c
Source of Spectrum B-51-1129-37
Wiley ID 746045