| 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 |
