| SpectraBase Compound ID | 1o5ubnxINil |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-15(14-26-16(2)23)9-7-12-21(5)18(19(24)25)13-17-10-8-11-20(3,4)22(17,21)6/h9-10,18H,7-8,11-14H2,1-6H3,(H,24,25)/b15-9-/t18-,21-,22-/m1/s1 |
| InChIKey | MZJHIEFGBFMJBU-BAZRMSFTSA-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 | Aq3vsW4tntw |
|---|---|
| Name | 16-Acetoxyanisotomenoic acid |
| 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/c1-15(14-26-16(2)23)9-7-12-21(5)18(19(24)25)13-17-10-8-11-20(3,4)22(17,21)6/h9-10,18H,7-8,11-14H2,1-6H3,(H,24,25)/b15-9-/t18-,21-,22-/m1/s1 |
| InChIKey | MZJHIEFGBFMJBU-BAZRMSFTSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | [C@@]12([C@@]([C@@](C(=O)O)(CC2=CCCC1(C)C)[H])(CC\C=C/(COC(=O)C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94359 |