SpectraBase Compound ID | Gxch6dpMWUq |
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InChI | InChI=1S/C12H24/c1-6-7-8-9-10-12(4,5)11(2)3/h9-11H,6-8H2,1-5H3/b10-9- |
InChIKey | PHLRMLKPHZLDKR-KTKRTIGZSA-N |
Mol Weight | 168.32 g/mol |
Molecular Formula | C12H24 |
Exact Mass | 168.187801 g/mol |
SpectraBase Spectrum ID | G2vmDWhuRuK |
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Name | 4-Nonene, 2,3,3-trimethyl-, (Z)- |
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/c1-6-7-8-9-10-12(4,5)11(2)3/h9-11H,6-8H2,1-5H3/b10-9- |
InChIKey | PHLRMLKPHZLDKR-KTKRTIGZSA-N |
Molecular Weight | 168.324 g/mol |
SMILES | C(\C=C/CCCC)(C(C)C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965294 |