SpectraBase Compound ID | 4mgQkaarc0T |
---|---|
InChI | InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3 |
InChIKey | YHAJBLWYOIUHHM-UHFFFAOYSA-N |
Mol Weight | 204.36 g/mol |
Molecular Formula | C15H24 |
Exact Mass | 204.187801 g/mol |
SpectraBase Spectrum ID | KlXZ3rOKiB8 |
---|---|
Name | .Delta.-guaiene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 204.187800773 u |
Formula | C15H24 |
InChI | InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3 |
InChIKey | YHAJBLWYOIUHHM-UHFFFAOYSA-N |
Molecular Weight | 204.357 g/mol |
SMILES | C1CC=2C(C1C)CC(CCC2C)C(=C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96367 |