SpectraBase Compound ID | GVnDc3waGDZ |
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InChI | InChI=1S/C10H18O2/c1-5-9(4)8-10(11-6-2)12-7-3/h5,10H,1,4,6-8H2,2-3H3 |
InChIKey | LJFAKRYWAYDRJR-UHFFFAOYSA-N |
Mol Weight | 170.25 g/mol |
Molecular Formula | C10H18O2 |
Exact Mass | 170.13068 g/mol |
SpectraBase Spectrum ID | KgE0Ze9xtnE |
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Name | 2-(2,2-Diethoxyethyl)-1,3-butadiene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 170.130679818 u |
Formula | C10H18O2 |
InChI | InChI=1S/C10H18O2/c1-5-9(4)8-10(11-6-2)12-7-3/h5,10H,1,4,6-8H2,2-3H3 |
InChIKey | LJFAKRYWAYDRJR-UHFFFAOYSA-N |
Molecular Weight | 170.252 g/mol |
SMILES | C(C=C)(=C)CC(OCC)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968775 |