SpectraBase Compound ID | 3DjlLFWtKwI |
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InChI | InChI=1S/C12H16/c1-10(2)8-6-7-9-12(5)11(3)4/h1,3,5,7,9H2,2,4H3 |
InChIKey | FVOVUQVOSVRSAT-UHFFFAOYSA-N |
Mol Weight | 160.26 g/mol |
Molecular Formula | C12H16 |
Exact Mass | 160.125201 g/mol |
SpectraBase Spectrum ID | 6VVAQ94Y4fQ |
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Name | 1,8-Nonadien-3-yne, 2,8-dimethyl-7-methylene- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 160.125200515 u |
Formula | C12H16 |
InChI | InChI=1S/C12H16/c1-10(2)8-6-7-9-12(5)11(3)4/h1,3,5,7,9H2,2,4H3 |
InChIKey | FVOVUQVOSVRSAT-UHFFFAOYSA-N |
Molecular Weight | 160.260 g/mol |
SMILES | C=C(C(C)=C)CCC#CC(C)=C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94654 |