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Benzyl 7-iodo-11-hydroxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c]-[1,4]benzodiazepine-10-carboxylate
SpectraBase Compound ID 6KW0AyPDutG
InChI InChI=1S/C20H19IN2O4/c21-14-8-9-16-15(11-14)18(24)22-10-4-7-17(22)19(25)23(16)20(26)27-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17,19,25H,4,7,10,12H2
InChIKey QEPMPKMICWNWJD-UHFFFAOYSA-N
Mol Weight 478.29 g/mol
Molecular Formula C20H19IN2O4
Exact Mass 478.038952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCgqNEGjV2G
Name Benzyl 7-iodo-11-hydroxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c]-[1,4]benzodiazepine-10-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19IN2O4
InChI InChI=1S/C20H19IN2O4/c21-14-8-9-16-15(11-14)18(24)22-10-4-7-17(22)19(25)23(16)20(26)27-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17,19,25H,4,7,10,12H2
InChIKey QEPMPKMICWNWJD-UHFFFAOYSA-N
Molecular Weight 478.286 g/mol
SMILES OC1N(c2c(C(N3C1CCC3)=O)cc(cc2)I)C(=O)OCc1ccccc1
SPLASH splash10-00dl-9010000000-99eb947821bdfe7838bf
Source of Spectrum B-51-1129-35
Synonyms benzyl 11-hydroxy-7-iodo-5-oxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-10(5H)-carboxylate
Wiley ID 746048