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IR-800
SpectraBase Compound ID IUeVpTMQZSw
InChI InChI=1S/C37H43N4.ClHO4/c1-38(2)32-20-12-28(13-21-32)36(29-14-22-33(23-15-29)39(3)4)10-9-11-37(30-16-24-34(25-17-30)40(5)6)31-18-26-35(27-19-31)41(7)8;2-1(3,4)5/h9-27H,1-8H3;(H,2,3,4,5)/q+1;/p-1
InChIKey QISONRZWQUUPJJ-UHFFFAOYSA-M
Mol Weight 643.2 g/mol
Molecular Formula C37H43ClN4O4
Exact Mass 642.297284 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID DmPrO1fzbw9
Name IR-800
Source of Sample Sigma-Aldrich
Catalog Number 392367
CAS Registry Number 18122-33-3
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H43ClN4O4
InChI InChI=1S/C37H43N4.ClHO4/c1-38(2)32-20-12-28(13-21-32)36(29-14-22-33(23-15-29)39(3)4)10-9-11-37(30-16-24-34(25-17-30)40(5)6)31-18-26-35(27-19-31)41(7)8;2-1(3,4)5/h9-27H,1-8H3;(H,2,3,4,5)/q+1;/p-1
InChIKey QISONRZWQUUPJJ-UHFFFAOYSA-M
Purity 97%
Synonyms Dimethyl{4-[1,5,5-tris(4-dimethylaminophenyl)-2,4-pentadienylidene]-2,5-cyclohexadien-1-ylidene}ammonium perchlorate
Wiley ID SIAL_ATR-IR_018292