| SpectraBase Spectrum ID |
4Vf63MDjAcK |
| Name |
Barban |
| Source of Sample |
Sigma-Aldrich Cat. #N11123 |
| CAS Registry Number |
101-27-9 |
| Classification |
Pesticides: Herbicides |
| 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 |
257.001033932 u |
| Formula |
C11H9Cl2NO2 |
| InChI |
InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15) |
| InChIKey |
MCOQHIWZJUDQIC-UHFFFAOYSA-N |
| Molecular Weight |
258.104 g/mol |
| Number of Peaks |
46 |
| RI1 |
2186 |
| SMILES |
N(c1cccc(c1)Cl)C(=O)OCC#CCCl |
| SPLASH |
splash10-0uk9-9620000000-c0f5b0ad1cea170c3813 |
| 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 |
Carbamic acid, N-(3-chlorophenyl)-, 4-chloro-2-butyn-1-yl ester |
| Wiley ID |
LM_PEST_536 |
