| SpectraBase Compound ID | 1A9c3zWnpdv |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-7-5-3-2-4-6-10-8(7)9/h5H,2-4,6H2,1H3/b7-5- |
| InChIKey | MDIAMSYAPSCSAM-ALCCZGGFSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 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 | 55ojSmMSeQf |
|---|---|
| Name | 2H-Oxocin-2-one, 5,6,7,8-tetrahydro-3-methyl-, (Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-7-5-3-2-4-6-10-8(7)9/h5H,2-4,6H2,1H3/b7-5- |
| InChIKey | MDIAMSYAPSCSAM-ALCCZGGFSA-N |
| SMILES | C1(\C(=C/CCCCO1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834851 |