SpectraBase Compound ID | 2yyOXe6PlSV |
---|---|
InChI | InChI=1S/2C17H18NS.H2O4S/c2*1-2-18-15(14-8-4-3-5-9-14)12-13-19-17-11-7-6-10-16(17)18;1-5(2,3)4/h2*3-11H,2,12-13H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2 |
InChIKey | ISGKXEBARJPJMM-UHFFFAOYSA-L |
Mol Weight | 632.85 g/mol |
Molecular Formula | C34H36N2O4S3 |
Exact Mass | 632.183721 g/mol |
SpectraBase Spectrum ID | 2fSeT4NVDpO |
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Name | bis(2,3-dihydro-5-ethyl-4-phenyl-1,5-benzothiazepinium)sulfate |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C34H36N2O4S3 |
InChI | InChI=1S/2C17H18NS.H2O4S/c2*1-2-18-15(14-8-4-3-5-9-14)12-13-19-17-11-7-6-10-16(17)18;1-5(2,3)4/h2*3-11H,2,12-13H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2 |
InChIKey | ISGKXEBARJPJMM-UHFFFAOYSA-L |
Sadtler IR Number | 34287 |
Sadtler UV Number | 15201N |
Solvent | Methanol |