| SpectraBase Spectrum ID |
Dnu7kBuOEQS |
| Name |
Methyl-2,5-dimethyl-3-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/c1-6-4-8(10(12)13-3)7(2)9(11)5-6/h4-5H,1-3H3 |
| InChIKey |
IULLIVWPAPCFSF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
290.100 g/mol |
| Nominal Mass |
290 u |
| Quality |
919 |
| Retention Index |
1640 |
| SMILES |
C=1(C(=C(C=C(C1)C)I)C)C(OC)=O |
| SPLASH |
splash10-0a4i-0190000000-a09b7b29b176111ef504 |
| Sample Comments |
Iodine position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 3-iodo-2,5-dimethylbenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004871 |
