| SpectraBase Spectrum ID |
1vg8yVs08Qh |
| Name |
Etafenone-m 2ac P1168 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.110338294 u |
| Formula |
C19H18O6 |
| InChI |
InChI=1S/C19H18O6/c1-12(20)24-18-10-8-14(11-19(18)25-13(2)21)7-9-17(23)15-5-3-4-6-16(15)22/h3-6,8,10-11,22H,7,9H2,1-2H3 |
| InChIKey |
PVLNGYUESSOVMA-UHFFFAOYSA-N |
| Molecular Weight |
342.347 g/mol |
| SMILES |
C=1C=C(C(=O)CCC2=CC=C(C(=C2)OC(C)=O)OC(C)=O)C(O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919634 |
