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Hexamethylene diisocyanate

View entire compound with spectra: 9 NMR, 9 FTIR, 1 Raman, and 9 MS (GC)

Hexamethylene diisocyanate
SpectraBase Compound ID 9W8zGdPAOtZ
InChI InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
InChIKey RRAMGCGOFNQTLD-UHFFFAOYSA-N
Mol Weight 168.2 g/mol
Molecular Formula C8H12N2O2
Exact Mass 168.089878 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID B0QD1QEOO3p
Name 1,6-Diisocyanatohexane
Source of Sample Aldrich
Catalog Number D124702
CAS Registry Number 822-06-0
Classification Non-aromatic nitriles & cumulated double bonds
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O2
InChI InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
InChIKey RRAMGCGOFNQTLD-UHFFFAOYSA-N
Purity 98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Hexamethylene diisocyanate
Technique Neat
Wiley ID SIAL_FTIR_1_9383