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Styryl 9M

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Styryl 9M
SpectraBase Compound ID ChGfiUqfPrH
InChI InChI=1S/C27H31N2S.ClHO4/c1-27(2)18-21(11-10-20-12-14-23(15-13-20)28(3)4)16-22(19-27)17-26-29(5)24-8-6-7-9-25(24)30-26;2-1(3,4)5/h6-17H,18-19H2,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKey ZVJQLQFMYXZEDW-UHFFFAOYSA-M
Mol Weight 515.07 g/mol
Molecular Formula C27H31ClN2O4S
Exact Mass 514.169306 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ZB4ymTiCEO
Name Styryl 9M
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 417025
CAS Registry Number 82988-08-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31ClN2O4S
InChI InChI=1S/C27H31N2S.ClHO4/c1-27(2)18-21(11-10-20-12-14-23(15-13-20)28(3)4)16-22(19-27)17-26-29(5)24-8-6-7-9-25(24)30-26;2-1(3,4)5/h6-17H,18-19H2,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKey ZVJQLQFMYXZEDW-UHFFFAOYSA-M
Observed nucleus 13C
Purity 98 %
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-([3-(2-[4-(Dimethylamino)phenyl]ethenyl)-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl)-3-methylbenzothiazolium perchlorate 2-[[3-[2-[4-(Dimethylamino)phenyl]ethenyl]-5,5-dimethyl-2-cyclohexen-1-ylide ne]methyl]-3-methylbenzothiazolium perchlorate
Wiley ID SIAL_13CNMR_009238