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2,4-Tolylene diisocyanate

View entire compound with spectra: 10 NMR, 8 FTIR, 9 MS (GC), and 2 Near IR

2,4-Tolylene diisocyanate
SpectraBase Compound ID KRImcPY3iHK
InChI InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
InChIKey DVKJHBMWWAPEIU-UHFFFAOYSA-N
Mol Weight 174.16 g/mol
Molecular Formula C9H6N2O2
Exact Mass 174.042927 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GA9ujRAaQJn
Name Tolylene-2,4-diisocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number T39853
CAS Registry Number 584-84-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6N2O2
InChI InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
InChIKey DVKJHBMWWAPEIU-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2,4-Diisocyanatotoluene; 4-Methyl-1,3-phenylene diisocyanate; 4-Methyl-m-phenylene diisocyanate; BASF LUPRANATE T80; TDI
Wiley ID SIAL_13CNMR_012845