| SpectraBase Compound ID | AXJMh78ijvX |
|---|---|
| InChI | InChI=1S/C15H20O/c1-10-5-6-13(14(16)9-10)15(4)8-7-11(2)12(15)3/h5-6,9,12,16H,2,7-8H2,1,3-4H3/t12-,15+/m0/s1 |
| InChIKey | TWNGKYVFHDFBJI-SWLSCSKDSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C15H20O |
| Exact Mass | 216.151415 g/mol |
| SpectraBase Spectrum ID | Dw8pRPNfEDu |
|---|---|
| Name | Debromoallolaurinterol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.151415263 u |
| Formula | C15H20O |
| InChI | InChI=1S/C15H20O/c1-10-5-6-13(14(16)9-10)15(4)8-7-11(2)12(15)3/h5-6,9,12,16H,2,7-8H2,1,3-4H3/t12-,15+/m0/s1 |
| InChIKey | TWNGKYVFHDFBJI-SWLSCSKDSA-N |
| Molecular Weight | 216.324 g/mol |
| SMILES | [C@@]1(C=2C(=CC(=CC2)C)O)([C@](C(=C)CC1)(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942025 |