| SpectraBase Compound ID | GF2GYq0Os03 |
|---|---|
| InChI | InChI=1S/C20H32O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h9,13-16H,6-8,10-12H2,1-5H3/t14-,15-,16-,20+/m0/s1 |
| InChIKey | MBWVKFFQYATKPQ-ZKNHNOBHSA-N |
| Mol Weight | 288.5 g/mol |
| Molecular Formula | C20H32O |
| Exact Mass | 288.245316 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9CYoKitWz9t |
|---|---|
| Name | (+/-)-abiet-5-en-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.245315649 u |
| Formula | C20H32O |
| InChI | InChI=1S/C20H32O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h9,13-16H,6-8,10-12H2,1-5H3/t14-,15-,16-,20+/m0/s1 |
| InChIKey | MBWVKFFQYATKPQ-ZKNHNOBHSA-N |
| Molecular Weight | 288.475 g/mol |
| SMILES | C1=C2[C@@](CCC(C2(C)C)=O)(C)[C@]2([H])[C@@]([H])(C1)C[C@](CC2)(C(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94138 |