| SpectraBase Compound ID | F1dWUBAivif |
|---|---|
| InChI | InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1 |
| InChIKey | LFYJSSARVMHQJB-QIXNEVBVSA-N |
| Mol Weight | 256.39 g/mol |
| Molecular Formula | C18H24O |
| Exact Mass | 256.182715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BAbZTWJxpAV |
|---|---|
| Name | (S)-Bakuchiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.182715392 u |
| Formula | C18H24O |
| InChI | InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1 |
| InChIKey | LFYJSSARVMHQJB-QIXNEVBVSA-N |
| Molecular Weight | 256.389 g/mol |
| SMILES | C1(\C=C\[C@](C=C)(CCC=C(C)C)C)=CC=C(C=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904279 |