| SpectraBase Compound ID | 8I8H12LfUlJ |
|---|---|
| InChI | InChI=1S/C6H10O2/c1-6-2-3-7-4-5-8-6/h2H,3-5H2,1H3 |
| InChIKey | MALWPRLLTVYAPN-UHFFFAOYSA-N |
| Mol Weight | 114.14 g/mol |
| Molecular Formula | C6H10O2 |
| Exact Mass | 114.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3LvIJD9atKH |
|---|---|
| Name | 5H-1,4-Dioxepin, 2,3-dihydro-7-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.068079560 u |
| Formula | C6H10O2 |
| InChI | InChI=1S/C6H10O2/c1-6-2-3-7-4-5-8-6/h2H,3-5H2,1H3 |
| InChIKey | MALWPRLLTVYAPN-UHFFFAOYSA-N |
| Molecular Weight | 114.144 g/mol |
| SMILES | C=1(OCCOCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972976 |