| SpectraBase Spectrum ID |
72cTR76hfTf |
| Name |
methyl 2-iodo-6-(3-oxobutyl)benzoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.990939276 u |
| Formula |
C12H13IO3 |
| GC Column |
HP-5 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C12H13IO3/c1-8(14)6-7-9-4-3-5-10(13)11(9)12(15)16-2/h3-5H,6-7H2,1-2H3 |
| InChIKey |
KDOKTWVAJJWGEK-UHFFFAOYSA-N |
| Instrument Name |
Agilent GC-MS 5977B MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201800757 |
| Molecular Weight |
332.137 g/mol |
| Quality |
66 |
| Reported Formula |
C12H13O3I |
| SMILES |
COC(C1=C(C=CC=C1CCC(C)=O)I)=O |
| SPLASH |
splash10-0a4i-3190000000-e6ebeb89cd8a5b50b829 |
| Source of Spectrum |
QE-24-SM13-3ha (DOI: 10.1002/chem.201800757) |
| Wiley ID |
1900149 |
