| SpectraBase Spectrum ID |
Bnz3N7cJQDa |
| Name |
(E)-2-(4-Methoxyl)methylenecyclobutanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.083729624 u |
| Formula |
C12H12O2 |
| InChI |
InChI=1S/C12H12O2/c1-14-11-5-2-9(3-6-11)8-10-4-7-12(10)13/h2-3,5-6,8H,4,7H2,1H3/b10-8+ |
| InChIKey |
UUMLBBDSYVHNIM-CSKARUKUSA-N |
| Molecular Weight |
188.226 g/mol |
| SMILES |
C=1(\C=C\2C(CC2)=O)C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887129 |