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Isothiocyanic acid, p-phenylene ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 2 MS (GC)

Isothiocyanic acid, p-phenylene ester
SpectraBase Compound ID BNMfJPdRZX5
InChI 1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H
InChIKey OMWQUXGVXQELIX-UHFFFAOYSA-N
Mol Weight 192.25 g/mol
Molecular Formula C8H4N2S2
Exact Mass 191.98159 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IgCsackGS2w
Name p-Phenylene diisothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 258555
CAS Registry Number 4044-65-9
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4N2S2
InChI 1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H
InChIKey OMWQUXGVXQELIX-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,4-Diisothiocyanatobenzene; Bitoscanate; PDITC
Wiley ID SIAL_1HNMR_004501