SpectraBase Compound ID | GIsPxp7CCfq |
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InChI | InChI=1S/C13H24/c1-6-7-8-9-10-13(11(2)3)12(4)5/h2,6-10H2,1,3-5H3 |
InChIKey | XRVMOBSTEMXSOA-UHFFFAOYSA-N |
Mol Weight | 180.33 g/mol |
Molecular Formula | C13H24 |
Exact Mass | 180.187801 g/mol |
SpectraBase Spectrum ID | IkayEB96cdV |
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Name | 1-Nonene, 2-methyl-3-(1-methylethylidene)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 180.187800773 u |
Formula | C13H24 |
InChI | InChI=1S/C13H24/c1-6-7-8-9-10-13(11(2)3)12(4)5/h2,6-10H2,1,3-5H3 |
InChIKey | XRVMOBSTEMXSOA-UHFFFAOYSA-N |
Molecular Weight | 180.335 g/mol |
SMILES | C(C(=C)C)(=C(C)C)CCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935148 |