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4-Nitro-2-(p-toluenesulphonyl)-1,2-dihydrobenz[6,7]oxepino-[4,3,2-cd]indole
SpectraBase Compound ID 3ehsSI1eCmd
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/h2-12H,13H2,1H3
InChIKey DSVKGUDYAVMNHR-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 CGGbVctTYPh
Name 4-Nitro-2-(p-toluenesulphonyl)-1,2-dihydrobenz[6,7]oxepino-[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/h2-12H,13H2,1H3
InChIKey DSVKGUDYAVMNHR-UHFFFAOYSA-N
Molecular Weight 420.439 g/mol
SMILES c12N(S(c3ccc(C)cc3)(=O)=O)CC3=Cc4ccccc4Oc(c13)cc(N(=O)=O)c2
SPLASH splash10-014i-2090400000-fac0c00ab025ee192680
Source of Spectrum F-65-6870-2a
Wiley ID 1679851