SpectraBase Compound ID | 2AUOCECdyhS |
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InChI | InChI=1S/C26H23N2S.HI/c1-2-28-15-7-10-22(18-28)26-17-24(27-23-11-5-6-12-25(23)29-26)21-14-13-19-8-3-4-9-20(19)16-21;/h3-16,18,26H,2,17H2,1H3;1H/q+1;/p-1 |
InChIKey | IBEXWJHKKCHMRC-UHFFFAOYSA-M |
Mol Weight | 522.45 g/mol |
Molecular Formula | C26H23IN2S |
Exact Mass | 522.062665 g/mol |
SpectraBase Spectrum ID | 7eUqRoROx8e |
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Name | 3-[2,3-dihydro-4-(2-naphthyl)-1,5-benzothiazepin-2-yl]-1-ethylpyridinium iodide |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C26H23IN2S |
InChI | InChI=1S/C26H23N2S.HI/c1-2-28-15-7-10-22(18-28)26-17-24(27-23-11-5-6-12-25(23)29-26)21-14-13-19-8-3-4-9-20(19)16-21;/h3-16,18,26H,2,17H2,1H3;1H/q+1;/p-1 |
InChIKey | IBEXWJHKKCHMRC-UHFFFAOYSA-M |
Sadtler IR Number | 40023 |
Sadtler UV Number | 38144N |
Solvent | Methanol |