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4-Isothiazolecarbonitrile, 5-iodo-3-phenyl-

View entire compound with spectra: 1 MS (GC)

4-Isothiazolecarbonitrile, 5-iodo-3-phenyl-
SpectraBase Compound ID eyrxgRAUrT
InChI InChI=1S/C10H5IN2S/c11-10-8(6-12)9(13-14-10)7-4-2-1-3-5-7/h1-5H
InChIKey SSAQMGSONIHMGP-UHFFFAOYSA-N
Mol Weight 312.13 g/mol
Molecular Formula C10H5IN2S
Exact Mass 311.921814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kfZixiqbYc
Name 4-Isothiazolecarbonitrile, 5-iodo-3-phenyl-
CAS Registry Number 126938-73-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H5IN2S
InChI InChI=1S/C10H5IN2S/c11-10-8(6-12)9(13-14-10)7-4-2-1-3-5-7/h1-5H
InChIKey SSAQMGSONIHMGP-UHFFFAOYSA-N
Molecular Weight 312.128 g/mol
SMILES c1(c(nsc1I)-c1ccccc1)C#N
SPLASH splash10-03dr-2906000000-f4c132af85b822e43976
Source of Spectrum B-42-1299-2
Synonyms 5-iodo-3-phenyl-4-isothiazolecarbonitrile 5-iodo-3-phenylisothiazole-4-carbonitrile
Wiley ID 1312804