| SpectraBase Spectrum ID |
FI5TpwMM2lf |
| Name |
2-Isobutyryl-benzo[1,3]dioxol-5-carbaldehyde |
| Alternate Name(s) |
2-isobutyryl-1,3-benzodioxole-5-carbaldehyde |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12O4 |
| InChI |
InChI=1S/C12H12O4/c1-7(2)11(14)12-15-9-4-3-8(6-13)5-10(9)16-12/h3-7,12H,1-2H3 |
| InChIKey |
UXPSLHGOCPWXAF-UHFFFAOYSA-N |
| Molecular Weight |
220.224 g/mol |
| SMILES |
C1(Oc2cc(C=O)ccc2O1)C(=O)C(C)C |
| SPLASH |
splash10-0002-0900000000-971f7ca75831e8126bfd |
| Source of Spectrum |
F-55-10114-12 |
| Wiley ID |
838898 |
![2-Isobutyryl-benzo[1,3]dioxol-5-carbaldehyde](/api/spectrum/FI5TpwMM2lf/structure.png?h=300&w=458 "2-Isobutyryl-benzo[1,3]dioxol-5-carbaldehyde")
