| SpectraBase Spectrum ID |
4bBuSimJ1cX |
| Name |
3-(Iodomethyl)-8-ethoxycoumarin |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H11IO3 |
| InChI |
InChI=1S/C12H11IO3/c1-2-15-10-5-3-4-8-6-9(7-13)12(14)16-11(8)10/h3-6H,2,7H2,1H3 |
| InChIKey |
ISNWALJBHABFAQ-UHFFFAOYSA-N |
| Molecular Weight |
330.121 g/mol |
| SMILES |
C=1(C(Oc2c(C1)cccc2OCC)=O)CI |
| SPLASH |
splash10-0udi-0090000000-1ccf53a2f69f728f2aaf |
| Source of Spectrum |
SO-0-2704-9 |
| Synonyms |
8-ethoxy-3-(iodomethyl)-2H-chromen-2-one |
| Wiley ID |
864764 |
