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2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxy-benzene
SpectraBase Compound ID 6i92h80vJXD
InChI InChI=1S/C19H21NOS/c1-13(2)17-10-16(21-15-8-6-5-7-9-15)11-18(14(3)4)19(17)20-12-22/h5-11,13-14H,1-4H3
InChIKey ZZNJNNXQRSAGSP-UHFFFAOYSA-N
Mol Weight 311.44 g/mol
Molecular Formula C19H21NOS
Exact Mass 311.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7XH9AlVEGJ
Name 2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxy-benzene
Source of Sample Degradation product of Difentiuron
CAS Registry Number 80058-93-1
Classification Pesticides: Artifacts, Degradation product
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 311.134385473 u
Formula C19H21NOS
InChI InChI=1S/C19H21NOS/c1-13(2)17-10-16(21-15-8-6-5-7-9-15)11-18(14(3)4)19(17)20-12-22/h5-11,13-14H,1-4H3
InChIKey ZZNJNNXQRSAGSP-UHFFFAOYSA-N
Molecular Weight 311.443 g/mol
Number of Peaks 262
RI1 2247
SMILES c1(c(c(cc(c1)Oc1ccccc1)C(C)C)N=C=S)C(C)C
SPLASH splash10-03di-2596000000-f669c23490f77f9a8f03
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzene, 2-isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxy-
Wiley ID LM_PEST_30