| SpectraBase Spectrum ID |
B12tWVPdAn2 |
| Name |
MCPA-ISO-OCTYLESTER |
| 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 |
312.149222362 u |
| Formula |
C17H25ClO3 |
| InChI |
InChI=1S/C17H25ClO3/c1-4-13(2)7-5-6-10-20-17(19)12-21-16-9-8-15(18)11-14(16)3/h8-9,11,13H,4-7,10,12H2,1-3H3 |
| InChIKey |
HXBQRPKUFMATRA-UHFFFAOYSA-N |
| Molecular Weight |
312.837 g/mol |
| Nominal Mass |
312 u |
| Number of Peaks |
87 |
| SMILES |
c1(c(ccc(c1)Cl)OCC(OCCCCC(C)CC)=O)C |
| SPLASH |
splash10-0a4l-9211000000-2e2b3fea76103e57454e |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
5-methylheptyl (4-chloro-2-methylphenoxy)acetate |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_3941 |
