| SpectraBase Compound ID | AfTgzVuFxMg |
|---|---|
| InChI | InChI=1S/C22H30O4/c1-14(24)26-18-12-19-21(4,13-23)9-6-10-22(19,5)17-8-7-15(11-16(17)18)20(2,3)25/h7-8,11,13,18-19,25H,6,9-10,12H2,1-5H3/t18-,19+,21+,22-/m1/s1 |
| InChIKey | QQRIQPRRTYDUEP-XMGTWHOFSA-N |
| Mol Weight | 358.48 g/mol |
| Molecular Formula | C22H30O4 |
| Exact Mass | 358.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GpZdZlmuNQ9 |
|---|---|
| Name | 7-alpha-Acetoxy-15-hydroxy-abieta-8,11,13-trien-18-al |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.214409442 u |
| Formula | C22H30O4 |
| InChI | InChI=1S/C22H30O4/c1-14(24)26-18-12-19-21(4,13-23)9-6-10-22(19,5)17-8-7-15(11-16(17)18)20(2,3)25/h7-8,11,13,18-19,25H,6,9-10,12H2,1-5H3/t18-,19+,21+,22-/m1/s1 |
| InChIKey | QQRIQPRRTYDUEP-XMGTWHOFSA-N |
| Molecular Weight | 358.478 g/mol |
| SMILES | C(=O)[C@@]1(CCC[C@]2([C@]1(C[C@@](OC(=O)C)(C1=C2C=CC(=C1)C(C)(C)O)[H])[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942523 |