SpectraBase Compound ID | JURxg8HtwZt |
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InChI | InChI=1S/C10H12O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-8H,2-3H2,1H3 |
InChIKey | MAUCRURSQMOFGV-UHFFFAOYSA-N |
Mol Weight | 148.2 g/mol |
Molecular Formula | C10H12O |
Exact Mass | 148.088815 g/mol |
SpectraBase Spectrum ID | Eikj6ETib82 |
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Name | Benzaldehyde, 4-propyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 148.088815005 u |
Formula | C10H12O |
InChI | InChI=1S/C10H12O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-8H,2-3H2,1H3 |
InChIKey | MAUCRURSQMOFGV-UHFFFAOYSA-N |
Molecular Weight | 148.205 g/mol |
SMILES | C(CC1=CC=C(C=C1)C=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961436 |