| SpectraBase Spectrum ID |
2lzQKCPnWSm |
| Name |
Methyl-2,4-dimethyl-5-iodobenzoate |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
289.980374592 u |
| Formula |
C10H11IO2 |
| InChI |
InChI=1S/C10H11IO2/c1-6-4-7(2)9(11)5-8(6)10(12)13-3/h4-5H,1-3H3 |
| InChIKey |
ZETITKGSTYFZFM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
290.100 g/mol |
| Nominal Mass |
290 u |
| Quality |
919 |
| Retention Index |
1649 |
| SMILES |
C=1(C(=CC(=C(C1)I)C)C)C(OC)=O |
| SPLASH |
splash10-0a4i-0190000000-bb98767658dd8827068d |
| Sample Comments |
Iodine position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 5-iodo-2,4-dimethylbenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004869 |
