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1,3-Phenylene diisocyanate

View entire compound with spectra: 4 FTIR, and 1 Raman

1,3-Phenylene diisocyanate
SpectraBase Compound ID EqEAtvSS1RT
InChI InChI=1S/C8H4N2O2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H
InChIKey VGHSXKTVMPXHNG-UHFFFAOYSA-N
Mol Weight 160.13 g/mol
Molecular Formula C8H4N2O2
Exact Mass 160.027277 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GrBc96PdD8Y
Name 1,3-Phenylene diisocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 308234
CAS Registry Number 123-61-5
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4N2O2
InChI 1S/C8H4N2O2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H
InChIKey VGHSXKTVMPXHNG-UHFFFAOYSA-N
Molecular Weight 160.130 g/mol
Purity 95%
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_VP-FTIR_003498