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6-(p-Tolylsulfonyl)-2-thia-6-aza[7]metacyclophane

View entire compound with spectra: 1 MS (GC)

6-(p-Tolylsulfonyl)-2-thia-6-aza[7]metacyclophane
SpectraBase Compound ID 617J43x4JgC
InChI InChI=1S/C18H21NO2S2/c1-15-6-8-18(9-7-15)23(20,21)19-10-3-11-22-14-17-5-2-4-16(12-17)13-19/h2,4-9,12H,3,10-11,13-14H2,1H3
InChIKey UYUJJTSHLPCQNI-UHFFFAOYSA-N
Mol Weight 347.49 g/mol
Molecular Formula C18H21NO2S2
Exact Mass 347.101371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60KLdejtU37
Name 6-(p-Tolylsulfonyl)-2-thia-6-aza[7]metacyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO2S2
InChI InChI=1S/C18H21NO2S2/c1-15-6-8-18(9-7-15)23(20,21)19-10-3-11-22-14-17-5-2-4-16(12-17)13-19/h2,4-9,12H,3,10-11,13-14H2,1H3
InChIKey UYUJJTSHLPCQNI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19941270427
Molecular Weight 347.491 g/mol
SMILES c1cc2cc(c1)CSCCCN(C2)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-01pc-1902000000-6f6d9dbe175d51912896
Source of Spectrum K-127-764-6a
Wiley ID 1793119