| SpectraBase Compound ID | Elo51BhKeoP |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-13(2)16-9-7-14(3)11-19(16)26-21(25)20(24)17-10-8-15(12-18(17)23)22(4,5)6/h8,10,12-14,16,19-20,23-24H,7,9,11H2,1-6H3/t14?,16?,19?,20-/m0/s1 |
| InChIKey | NCQOYYGNWYEULU-XOABIFLLSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FytI9fqIAEY |
|---|---|
| Name | (2S)-2-(4-T-Butyl-2-hydroxyphenyl)-2-hydroxyethanoic acid (-)-menthyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-13(2)16-9-7-14(3)11-19(16)26-21(25)20(24)17-10-8-15(12-18(17)23)22(4,5)6/h8,10,12-14,16,19-20,23-24H,7,9,11H2,1-6H3/t14?,16?,19?,20-/m0/s1 |
| InChIKey | NCQOYYGNWYEULU-XOABIFLLSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C([C@@](O)(C=1C(=CC(=CC1)C(C)(C)C)O)[H])(=O)OC1C(CCC(C1)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867739 |