| SpectraBase Compound ID | BluQmCtzaeY |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-6-4-2-3-5-7(8)9-6/h3,5-6H,2,4H2,1H3/t6-/m1/s1 |
| InChIKey | AVJCKQQAOCTFIM-ZCFIWIBFSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JhW1FqfgpX8 |
|---|---|
| Name | (R)-(+)-2-heptene-6-olide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.068079560 u |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c1-6-4-2-3-5-7(8)9-6/h3,5-6H,2,4H2,1H3/t6-/m1/s1 |
| InChIKey | AVJCKQQAOCTFIM-ZCFIWIBFSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C1(O[C@@](CCC=C1)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966594 |