SpectraBase Compound ID | BsUB6YcBADm |
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InChI | InChI=1S/C12H24/c1-4-6-8-10-12(3)11-9-7-5-2/h4,6,12H,5,7-11H2,1-3H3/b6-4+ |
InChIKey | WOTYFYBLJJECKY-GQCTYLIASA-N |
Mol Weight | 168.32 g/mol |
Molecular Formula | C12H24 |
Exact Mass | 168.187801 g/mol |
SpectraBase Spectrum ID | 9rBL6JGKsnU |
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Name | 2-Undecene, 6-methyl-, (E)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 168.187800773 u |
Formula | C12H24 |
InChI | InChI=1S/C12H24/c1-4-6-8-10-12(3)11-9-7-5-2/h4,6,12H,5,7-11H2,1-3H3/b6-4+ |
InChIKey | WOTYFYBLJJECKY-GQCTYLIASA-N |
Molecular Weight | 168.324 g/mol |
SMILES | C(C(CC\C=C\C)C)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954989 |