| SpectraBase Spectrum ID |
BKFss2XyIc4 |
| Name |
1-oxa-3-Methyl-5-(ethylcabonyloxyethyl)-cyclopenta-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.104858991 u |
| Formula |
C10H16O4 |
| InChI |
InChI=1S/C10H16O4/c1-3-9(11)13-5-4-8-6-7(2)10(12)14-8/h7-8H,3-6H2,1-2H3 |
| InChIKey |
VKTLFNMGOOZKFQ-UHFFFAOYSA-N |
| Molecular Weight |
200.234 g/mol |
| SMILES |
C1(OC(CCOC(=O)CC)CC1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874772 |
