| SpectraBase Spectrum ID |
4fvT7qYE997 |
| Name |
1-(3-Oxobutyl)-2,3,4-trimethoxybenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.120509056 u |
| Formula |
C13H18O4 |
| InChI |
InChI=1S/C13H18O4/c1-9(14)5-6-10-7-8-11(15-2)13(17-4)12(10)16-3/h7-8H,5-6H2,1-4H3 |
| InChIKey |
MDZHAMBECWEJDK-UHFFFAOYSA-N |
| Molecular Weight |
238.283 g/mol |
| SMILES |
C=1(C(=C(C(=CC1)OC)OC)OC)CCC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853969 |
