| SpectraBase Spectrum ID |
K1DdfIyjHUy |
| Name |
MCPB-methyl ester |
| Source of Sample |
Supelco Cat. #PS1084 |
| CAS Registry Number |
57153-18-1 |
| 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 |
242.070972040 u |
| Formula |
C12H15ClO3 |
| InChI |
InChI=1S/C12H15ClO3/c1-9-8-10(13)5-6-11(9)16-7-3-4-12(14)15-2/h5-6,8H,3-4,7H2,1-2H3 |
| InChIKey |
FWDQLSHRVKQKBS-UHFFFAOYSA-N |
| Molecular Weight |
242.702 g/mol |
| Number of Peaks |
48 |
| RI1 |
1785 |
| SMILES |
c1(C)c(ccc(Cl)c1)OCCCC(=O)OC |
| SPLASH |
splash10-14i0-9800000000-36e0bff6226da1a24292 |
| 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)-, methyl ester |
| Wiley ID |
LM_PEST_661 |
