SpectraBase Compound ID | LoJJaedbabk |
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InChI | InChI=1S/C11H14O2/c1-11(2,3)9-5-4-8(7-12)10(13)6-9/h4-7,13H,1-3H3 |
InChIKey | UYRSLWPKZKASRB-UHFFFAOYSA-N |
Mol Weight | 178.23 g/mol |
Molecular Formula | C11H14O2 |
Exact Mass | 178.09938 g/mol |
SpectraBase Spectrum ID | FhKZV0pdLLG |
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Name | 4-(Tertbutyl)-2-hydroxybenzaldehyde |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 178.099379689 u |
Formula | C11H14O2 |
InChI | InChI=1S/C11H14O2/c1-11(2,3)9-5-4-8(7-12)10(13)6-9/h4-7,13H,1-3H3 |
InChIKey | UYRSLWPKZKASRB-UHFFFAOYSA-N |
Molecular Weight | 178.231 g/mol |
SMILES | C1=C(C(C)(C)C)C=C(O)C(C=O)=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959384 |