| SpectraBase Spectrum ID |
CSc8wB4vs4 |
| Name |
MCPB |
| Source of Sample |
Sigma-Aldrich Cat. #36145 |
| CAS Registry Number |
94-81-5 |
| 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 |
228.055321976 u |
| Formula |
C11H13ClO3 |
| InChI |
InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14) |
| InChIKey |
LLWADFLAOKUBDR-UHFFFAOYSA-N |
| Molecular Weight |
228.675 g/mol |
| Number of Peaks |
47 |
| RI1 |
1843 |
| SMILES |
OC(CCCOc1ccc(cc1C)Cl)=O |
| SPLASH |
splash10-0006-5900000000-477428d5a31a7870c0f1 |
| 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 |
Butanoic acid, 4-(4-chloro-2-methylphenoxy)- |
| Wiley ID |
LM_PEST_583 |
