| SpectraBase Spectrum ID |
HxyqbyCFeSu |
| Name |
1,3,4-Triethoxy-1-(benzoylmethyl)cyclobut-3-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.146723803 u |
| Formula |
C18H22O5 |
| InChI |
InChI=1S/C18H22O5/c1-4-21-15-16(20)18(23-6-3,17(15)22-5-2)12-14(19)13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3 |
| InChIKey |
SAJSIPFGJZTTEV-UHFFFAOYSA-N |
| Molecular Weight |
318.369 g/mol |
| SMILES |
C1(C(C(=C1OCC)OCC)=O)(CC(C=1C=CC=CC1)=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845768 |
