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1,3,2-Benzodioxaphosphole, benzonitrile deriv.
SpectraBase Compound ID Kc4CtdOssP0
InChI InChI=1S/C13H8NO3PS/c14-9-10-5-7-11(8-6-10)15-18(19)16-12-3-1-2-4-13(12)17-18/h1-8H
InChIKey CWMYVLPQFAIZAT-UHFFFAOYSA-N
Mol Weight 289.24 g/mol
Molecular Formula C13H8NO3PS
Exact Mass 288.996251 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDn14dsBZFc
Name 1,3,2-Benzodioxaphosphole, benzonitrile deriv.
Alternate Name(s) Benzonitrile, 4-(1,3,2-benzodioxaphosphol-2-yloxy)-, P-sulfide 2-(4-Cyanophenoxy)-1,3,2-benzodioxaphosphole p-sulfide 2-(para-cyanophenyl)oxybenzo-1,3-dioxa-2-phosphole-2-thione 4-[(2-sulfido-1,3,2-benzodioxaphosphol-2-yl)oxy]benzonitrile
CAS Registry Number 95478-64-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8NO3PS
InChI InChI=1S/C13H8NO3PS/c14-9-10-5-7-11(8-6-10)15-18(19)16-12-3-1-2-4-13(12)17-18/h1-8H
InChIKey CWMYVLPQFAIZAT-UHFFFAOYSA-N
Molecular Weight 289.245 g/mol
SMILES c12OP(Oc1cccc2)(=S)Oc1ccc(C#N)cc1
SPLASH splash10-000i-5970000000-5215691c9353c93fa4bd
Source of Spectrum O-21-284-10
Wiley ID 1292464