SpectraBase Compound ID | 8KNaW45fDX9 |
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InChI | InChI=1S/C10H18O2/c1-6-11-10(12-7-2)9(5)8(3)4/h10H,3,5-7H2,1-2,4H3 |
InChIKey | AJNXHPDABCXJSZ-UHFFFAOYSA-N |
Mol Weight | 170.25 g/mol |
Molecular Formula | C10H18O2 |
Exact Mass | 170.13068 g/mol |
SpectraBase Spectrum ID | 2bZ9dERP8Ax |
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Name | 3-Methyl-2-methylene-3-butenal, diethyl acetal |
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/c1-6-11-10(12-7-2)9(5)8(3)4/h10H,3,5-7H2,1-2,4H3 |
InChIKey | AJNXHPDABCXJSZ-UHFFFAOYSA-N |
Molecular Weight | 170.252 g/mol |
SMILES | CCOC(C(C(=C)C)=C)OCC |
Spectrum/Structure Validation Score (Raman) | 0.969528 |