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IR-797 chloride

View entire compound with spectra: 1 FTIR

IR-797 chloride
SpectraBase Compound ID KIV5CMLzDBX
InChI InChI=1S/C31H34ClN2.ClH/c1-30(2)23-11-7-9-13-25(23)33(5)27(30)19-17-21-15-16-22(29(21)32)18-20-28-31(3,4)24-12-8-10-14-26(24)34(28)6;/h7-14,17-20H,15-16H2,1-6H3;1H/q+1;/p-1
InChIKey OATKVFFCVUJOEX-UHFFFAOYSA-M
Mol Weight 505.5 g/mol
Molecular Formula C31H34Cl2N2
Exact Mass 504.209905 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9zRhpbmjHFg
Name IR-797 chloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 642339
Lot Number S20787
CAS Registry Number 110992-55-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H34Cl2N2
InChI InChI=1S/C31H34ClN2.ClH/c1-30(2)23-11-7-9-13-25(23)33(5)27(30)19-17-21-15-16-22(29(21)32)18-20-28-31(3,4)24-12-8-10-14-26(24)34(28)6;/h7-14,17-20H,15-16H2,1-6H3;1H/q+1;/p-1
InChIKey OATKVFFCVUJOEX-UHFFFAOYSA-M
Molecular Weight 505.533 g/mol
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]-ethenyl]-1,3,3-trimethyl-3H-indolium chloride
Technique Mull
Wiley ID SIAL_FF-FTIR_000047