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4'-methylspiro[5H-dibenzo[c,e]azepine-6(7H), 1'-piperazinium] p-toluenesulfonate, p-toluenesulfonate
SpectraBase Compound ID 3lBjnpG4b1O
InChI InChI=1S/C19H23N2.2C7H8O3S/c1-20-10-12-21(13-11-20)14-16-6-2-4-8-18(16)19-9-5-3-7-17(19)15-21;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-9H,10-15H2,1H3;2*2-5H,1H3,(H,8,9,10)/q+1;;/p-1
InChIKey CEUDFBOBEYUTIR-UHFFFAOYSA-M
Mol Weight 622.79 g/mol
Molecular Formula C33H38N2O6S2
Exact Mass 622.217129 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3JFIAfngMVf
Name 4'-METHYLSPIRO[5H-DIBENZO[c,e]AZEPINE-6(7H),1'-PIPERAZINIUM] p-TOLUENESULFONATE, p-TOLUENESULFONATE
Source of Sample N. B. Mehta, Burroughs Wellcome & Company, Inc., Tuckahoe, New York
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H38N2O6S2
InChI InChI=1S/C19H23N2.2C7H8O3S/c1-20-10-12-21(13-11-20)14-16-6-2-4-8-18(16)19-9-5-3-7-17(19)15-21;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-9H,10-15H2,1H3;2*2-5H,1H3,(H,8,9,10)/q+1;;/p-1
InChIKey CEUDFBOBEYUTIR-UHFFFAOYSA-M
Literature Reference JOCE 28, 2843(1963)
Melting Point 257-258C
Molecular Weight 622.794520
Synonyms SPIRO/5H-DIBENZO/C,E/AZEPINE- 6/7H/,1PR-PIPERAZINIUM/ P-TOLUENE- SULFONATE, 4*-METHYL-, P-TOLUENE- SULFONATE
Technique KBr WAFER