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8-Phenylamino-10-tosyl-8,10-diazabicyclo[5.3.0]deca-2,4,6-trien-9-one
SpectraBase Compound ID F8wcm8j11fg
InChI InChI=1S/C21H19N3O3S/c1-16-12-14-18(15-13-16)28(26,27)24-20-11-7-3-6-10-19(20)23(21(24)25)22-17-8-4-2-5-9-17/h2-15,20,22H,1H3
InChIKey NMIZTXGPBHBNOL-UHFFFAOYSA-N
Mol Weight 393.46 g/mol
Molecular Formula C21H19N3O3S
Exact Mass 393.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Bv9uEvOcSG
Name 8-Phenylamino-10-tosyl-8,10-diazabicyclo[5.3.0]deca-2,4,6-trien-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3O3S
InChI InChI=1S/C21H19N3O3S/c1-16-12-14-18(15-13-16)28(26,27)24-20-11-7-3-6-10-19(20)23(21(24)25)22-17-8-4-2-5-9-17/h2-15,20,22H,1H3
InChIKey NMIZTXGPBHBNOL-UHFFFAOYSA-N
Molecular Weight 393.461 g/mol
SMILES N(N1C(N(S(c2ccc(cc2)C)(=O)=O)C2C1=CC=CC=C2)=O)c1ccccc1
SPLASH splash10-00di-0090000000-991ee960bf64ec7c7a2b
Source of Spectrum H1-41-1679-5
Synonyms 1-Anilino-3-[(4-methylphenyl)sulfonyl]-3,3a-dihydrocyclohepta[d]imidazol-2(1H)-one
Wiley ID 757301