SpectraBase Compound ID | FMnkxAb4J0e |
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InChI | InChI=1S/C15H26O/c1-12-6-5-8-15(3,4)9-7-13(2)11-14(16)10-12/h7,9-10,13-14,16H,5-6,8,11H2,1-4H3/b9-7+,12-10- |
InChIKey | OLKBYNHEDMHHQA-IOIMVZBSSA-N |
Mol Weight | 222.37 g/mol |
Molecular Formula | C15H26O |
Exact Mass | 222.198365 g/mol |
SpectraBase Spectrum ID | 8pXMN1lVvQE |
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Name | Humulane-1,6-dien-3-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 222.198365456 u |
Formula | C15H26O |
InChI | InChI=1S/C15H26O/c1-12-6-5-8-15(3,4)9-7-13(2)11-14(16)10-12/h7,9-10,13-14,16H,5-6,8,11H2,1-4H3/b9-7+,12-10- |
InChIKey | OLKBYNHEDMHHQA-IOIMVZBSSA-N |
Molecular Weight | 222.372 g/mol |
SMILES | C1(\C=C/(CCCC(\C=C\C(C1)C)(C)C)C)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853446 |