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2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole
SpectraBase Compound ID 3pR8D6vY7du
InChI InChI=1S/C22H16N2O5S/c1-14-6-8-18(9-7-14)30(27,28)23-13-16-10-15-4-2-3-5-20(15)29-21-12-17(24(25)26)11-19(23)22(16)21/h2-9,11-13H,10H2,1H3
InChIKey OMKIILGJVTVMOD-UHFFFAOYSA-N
Mol Weight 420.44 g/mol
Molecular Formula C22H16N2O5S
Exact Mass 420.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Mxo3ypyjBC
Name 2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N2O5S
InChI InChI=1S/C22H16N2O5S/c1-14-6-8-18(9-7-14)30(27,28)23-13-16-10-15-4-2-3-5-20(15)29-21-12-17(24(25)26)11-19(23)22(16)21/h2-9,11-13H,10H2,1H3
InChIKey OMKIILGJVTVMOD-UHFFFAOYSA-N
Molecular Weight 420.439 g/mol
SMILES c1ccc2c(Cc3c[n](S(c4ccc(C)cc4)(=O)=O)c4c3c(O2)cc(N(=O)=O)c4)c1
SPLASH splash10-014l-9570100000-14033683da3f5a09d7ed
Wiley ID 1445177