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3-(cyclohexylamino)-1-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]-5,6-dihydro-4H-indol-2-one
SpectraBase Compound ID LYA9iZvTGZ4
InChI InChI=1S/C22H25IN2O3/c23-17-11-20-19(27-13-28-20)10-14(17)12-25-18-9-5-4-8-16(18)21(22(25)26)24-15-6-2-1-3-7-15/h9-11,15,24H,1-8,12-13H2
InChIKey UBQFQSQESGVPEG-UHFFFAOYSA-N
Mol Weight 492.36 g/mol
Molecular Formula C22H25IN2O3
Exact Mass 492.090988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPIM36iNYuU
Name 3-(cyclohexylamino)-1-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]-5,6-dihydro-4H-indol-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25IN2O3
InChI InChI=1S/C22H25IN2O3/c23-17-11-20-19(27-13-28-20)10-14(17)12-25-18-9-5-4-8-16(18)21(22(25)26)24-15-6-2-1-3-7-15/h9-11,15,24H,1-8,12-13H2
InChIKey UBQFQSQESGVPEG-UHFFFAOYSA-N
Molecular Weight 492.357 g/mol
SMILES N(C=1C(N(C=2C1CCCC2)Cc1c(cc2c(c1)OCO2)I)=O)C1CCCCC1
SPLASH splash10-0159-0096000000-0b01af459fd056586a0a
Source of Spectrum F-52-10579-14
Synonyms 3-(cyclohexylamino)-1-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-5,6-dihydro-4H-indol-2-one
Wiley ID 797911