| SpectraBase Spectrum ID |
2RvigjYuUco |
| Name |
5-[(E)-but-1-Enyl]-4-methoxy-6-methylpyran-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.094294308 u |
| Formula |
C11H14O3 |
| InChI |
InChI=1S/C11H14O3/c1-4-5-6-9-8(2)14-11(12)7-10(9)13-3/h5-7H,4H2,1-3H3/b6-5+ |
| InChIKey |
YKTRFCJDTCAPSG-AATRIKPKSA-N |
| Molecular Weight |
194.230 g/mol |
| SMILES |
C1(C=C(C(=C(O1)C)\C=C\CC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865631 |
![5-[(E)-but-1-Enyl]-4-methoxy-6-methylpyran-2-one](/api/spectrum/2RvigjYuUco/structure.png?h=300&w=458 "5-[(E)-but-1-Enyl]-4-methoxy-6-methylpyran-2-one")
