| SpectraBase Spectrum ID |
1IA3u0WTEvi |
| Name |
6-(4-Methoxyphenyl)-2,3,8,8A-tetrahydrocyclopenta[E][1,4]dioxepin-7(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.104858991 u |
| Formula |
C15H16O4 |
| InChI |
InChI=1S/C15H16O4/c1-17-11-4-2-10(3-5-11)15-12-9-18-6-7-19-14(12)8-13(15)16/h2-5,14H,6-9H2,1H3 |
| InChIKey |
VEZKQBAPKMTGEW-UHFFFAOYSA-N |
| Molecular Weight |
260.289 g/mol |
| SMILES |
C1(=C2C(OCCOC2)CC1=O)C=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918456 |
![6-(4-Methoxyphenyl)-2,3,8,8a-tetrahydrocyclopenta[e][1,4]dioxepin-7(5H)-one](/api/spectrum/1IA3u0WTEvi/structure.png?h=300&w=458 "6-(4-Methoxyphenyl)-2,3,8,8a-tetrahydrocyclopenta[e][1,4]dioxepin-7(5H)-one")
