SpectraBase Spectrum ID |
JrGkrJJxRZ4 |
Name |
Methyl-2,3-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/c1-6-4-8(11)5-9(7(6)2)10(12)13-3/h4-5H,1-3H3 |
InChIKey |
DDHKAQKWHSTTOH-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
290.100 g/mol |
Nominal Mass |
290 u |
Quality |
907 |
Retention Index |
1671 |
SMILES |
C=1(C(=C(C=C(C1)I)C)C)C(OC)=O |
SPLASH |
splash10-0a4l-1190000000-649cc1dcacb2beec4161 |
Sample Comments |
Iodine position uncertain |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
methyl 5-iodo-2,3-dimethylbenzoate |
Technique |
GC/MS |
Wiley ID |
DD2024_004875 |