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Pyrrolo[2',1':4,5][1,5]diazocino[2,1,8-cd]pyrrolizine, 5,6-dihydro-4-(phenylsulfonyl)-
SpectraBase Compound ID KVzoT7iTLyG
InChI InChI=1S/C20H16N2O2S/c23-25(24,18-6-2-1-3-7-18)20-14-17-9-8-16-13-15-5-4-11-21(15)12-10-19(20)22(16)17/h1-9,11,13-14H,10,12H2/b16-13-
InChIKey MSKCIMAVDUQZOH-SSZFMOIBSA-N
Mol Weight 348.42 g/mol
Molecular Formula C20H16N2O2S
Exact Mass 348.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99qNbv5Pe0i
Name Pyrrolo[2',1':4,5][1,5]diazocino[2,1,8-cd]pyrrolizine, 5,6-dihydro-4-(phenylsulfonyl)-
CAS Registry Number 90909-81-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2O2S
InChI InChI=1S/C20H16N2O2S/c23-25(24,18-6-2-1-3-7-18)20-14-17-9-8-16-13-15-5-4-11-21(15)12-10-19(20)22(16)17/h1-9,11,13-14H,10,12H2/b16-13-
InChIKey MSKCIMAVDUQZOH-SSZFMOIBSA-N
Molecular Weight 348.420 g/mol
SMILES c1(S(=O)(=O)c2ccccc2)c2[n]3\C(=C/c4[n](CC2)ccc4)C=Cc3c1
SPLASH splash10-0002-0009000000-a445451efb9cf4684c5c
Source of Spectrum K-117-1433-0
Synonyms 4-(Phenylsulfonyl)-5,6-dihydro-6a,10b-diazacyclopenta[5,6]cycloocta[1,2,3-cd]pentalene 5,6-Dihydro-4-(phenylsulfonyl)pyrrolo[2',1':4,5][1,5]diazocino[2,1,8-c,d]pyrrolizine 5,6-Dihydro-6a,10b-diazacyclopenta[5,6]cycloocta[1,2,3-cd]pentalen-4-yl phenyl sulfone
Wiley ID 1340640