| SpectraBase Spectrum ID |
CnUApCUQwjB |
| Name |
Propafenone-m isomer-2 ac @P994 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.115423675 u |
| Formula |
C18H18O5 |
| InChI |
InChI=1S/C18H18O5/c1-12(19)23-17-10-8-13(11-18(17)22-2)7-9-16(21)14-5-3-4-6-15(14)20/h3-6,8,10-11,20H,7,9H2,1-2H3 |
| InChIKey |
ZQEIRGTUUUCRME-UHFFFAOYSA-N |
| Molecular Weight |
314.337 g/mol |
| SMILES |
C=1C=C(C(=O)CCC2=CC=C(C(=C2)OC)OC(C)=O)C(O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933015 |
