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Tembetarin iodide
SpectraBase Compound ID Eyr2UvNm8Po
InChI InChI=1S/C20H25NO4.HI/c1-21(2)8-7-14-11-20(25-4)18(23)12-15(14)16(21)9-13-5-6-19(24-3)17(22)10-13;/h5-6,10-12,16H,7-9H2,1-4H3,(H-,22,23);1H/t16-;/m0./s1
InChIKey YHESZQUPLJBSNE-NTISSMGPSA-N
Mol Weight 471.33547 g/mol
Molecular Formula C20H26INO4
Exact Mass 471.090653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cp2siiY4SK5
Name Tembetarin iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26INO4
InChI InChI=1S/C20H25NO4.HI/c1-21(2)8-7-14-11-20(25-4)18(23)12-15(14)16(21)9-13-5-6-19(24-3)17(22)10-13;/h5-6,10-12,16H,7-9H2,1-4H3,(H-,22,23);1H/t16-;/m0./s1
InChIKey YHESZQUPLJBSNE-NTISSMGPSA-N
Literature Reference DOI 10.1002/ardp.19813140311
Molecular Weight 471.335 g/mol
SMILES Oc1c(cc2CC[N+]([C@@](Cc3ccc(c(c3)O)OC)(c2c1)[H])(C)C)OC.[I-]
SPLASH splash10-052f-4900000000-e813d7e6fb17ec6e7c4c
Source of Spectrum APC-314-255-3
Synonyms (S)-7-hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium iodide
Wiley ID 1787922