| SpectraBase Compound ID | KOPXgomaJE3 |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-13(2)15-10-9-14(3)12-16(15)20-17(19)8-6-4-5-7-11-18/h6,8,11,13-16H,4-5,7,9-10,12H2,1-3H3/b8-6+/t14-,15+,16-/m1/s1 |
| InChIKey | QUXLTZNODDFIRE-SHVNWIDNSA-N |
| Mol Weight | 280.41 g/mol |
| Molecular Formula | C17H28O3 |
| Exact Mass | 280.203845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 46g4SyMEd14 |
|---|---|
| Name | (L)-Menthyl trans-hep-2-enoate-7-al |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.203844759 u |
| Formula | C17H28O3 |
| InChI | InChI=1S/C17H28O3/c1-13(2)15-10-9-14(3)12-16(15)20-17(19)8-6-4-5-7-11-18/h6,8,11,13-16H,4-5,7,9-10,12H2,1-3H3/b8-6+/t14-,15+,16-/m1/s1 |
| InChIKey | QUXLTZNODDFIRE-SHVNWIDNSA-N |
| SMILES | [C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])(OC(\C=C\CCCC=O)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858965 |