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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 87GCaGtsdcx
Name ISOTHIOCYANIC ACID, p-PHENYLENE ESTER
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 4044-65-9
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4N2S2
InChI InChI=1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H
InChIKey OMWQUXGVXQELIX-UHFFFAOYSA-N
Melting Point 129-131C
Molecular Weight 192.26
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ISOTHIOCYANIC ACID, P-PHENYLENE ESTER