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1-(4-trans-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene
SpectraBase Compound ID E1ej2YKAph2
InChI InChI=1S/C27H35NS/c1-2-3-4-5-6-22-9-15-25(16-10-22)26-17-11-23(12-18-26)7-8-24-13-19-27(20-14-24)28-21-29/h11-14,17-20,22,25H,2-10,15-16H2,1H3/t22-,25-
InChIKey GFLJBHDKHDTGGY-RZFKFIIISA-N
Mol Weight 405.6 g/mol
Molecular Formula C27H35NS
Exact Mass 405.249021 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID BQxU8jxQKco
Name 1-(4-trans-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene
Source of Sample Aldrich
Catalog Number 377252
CAS Registry Number 110499-95-1
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35NS
InChI InChI=1S/C27H35NS/c1-2-3-4-5-6-22-9-15-25(16-10-22)26-17-11-23(12-18-26)7-8-24-13-19-27(20-14-24)28-21-29/h11-14,17-20,22,25H,2-10,15-16H2,1H3/t22-,25-
InChIKey GFLJBHDKHDTGGY-RZFKFIIISA-N
Purity 98%
Synonyms 4-[4-(4-Hexylcyclohexyl)phenethyl]phenyl isothiocyanate SCHEMBL1274451
Wiley ID SIAL_ATR-IR_017647