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Tolylene-alpha,4-diisocyanate

View entire compound with spectra: 2 NMR

Tolylene-alpha,4-diisocyanate
SpectraBase Compound ID 4d4H4T88kSp
InChI InChI=1S/C9H6N2O2/c12-6-10-5-8-1-3-9(4-2-8)11-7-13/h1-4H,5H2
InChIKey XEOANEVNYYOZOX-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 KgkYq1QHyul
Name Tolylene-alpha,4-diisocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 496251
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/c12-6-10-5-8-1-3-9(4-2-8)11-7-13/h1-4H,5H2
InChIKey XEOANEVNYYOZOX-UHFFFAOYSA-N
Molecular Weight 174.159 g/mol
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014891