SpectraBase Compound ID | GZdoZZebpab |
---|---|
InChI | InChI=1S/C12H14O3/c1-4-9(2)15-12-7-10(8-13)5-6-11(12)14-3/h4-9H,1H2,2-3H3 |
InChIKey | MNAAPYQAQUWJMF-UHFFFAOYSA-N |
Mol Weight | 206.24 g/mol |
Molecular Formula | C12H14O3 |
Exact Mass | 206.094294 g/mol |
SpectraBase Spectrum ID | 92NQYhsPcWn |
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Name | 3-but-3-en-2-Yloxy-4-methoxybenzaldehyde |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 206.094294308 u |
Formula | C12H14O3 |
InChI | InChI=1S/C12H14O3/c1-4-9(2)15-12-7-10(8-13)5-6-11(12)14-3/h4-9H,1H2,2-3H3 |
InChIKey | MNAAPYQAQUWJMF-UHFFFAOYSA-N |
Molecular Weight | 206.241 g/mol |
SMILES | C=1(OC)C(=CC(=CC1)C=O)OC(C=C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968869 |