| SpectraBase Compound ID | 5JC4R4JJATL |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-7(2)5-4-6-8(3)9(10)11/h5,8H,4,6H2,1-3H3,(H,10,11)/t8-/m1/s1 |
| InChIKey | YZGRYUUGPWDZTQ-MRVPVSSYSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GjsJS954ZlD |
|---|---|
| Name | (R)-(-)-2,6-dimethylhept-5-enoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-7(2)5-4-6-8(3)9(10)11/h5,8H,4,6H2,1-3H3,(H,10,11)/t8-/m1/s1 |
| InChIKey | YZGRYUUGPWDZTQ-MRVPVSSYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | CC(C)=CCC[C@](C(O)=O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.991176 |