SpectraBase Compound ID | 40boK3GOLvh |
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InChI | InChI=1S/C10H10O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-7H,1H2,2H3 |
InChIKey | IRWAASJGTLXGMV-UHFFFAOYSA-N |
Mol Weight | 146.19 g/mol |
Molecular Formula | C10H10O |
Exact Mass | 146.073165 g/mol |
SpectraBase Spectrum ID | EwCVo9A4Xvq |
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Name | Benzaldehyde, 4-(1-methylethenyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 146.073164941 u |
Formula | C10H10O |
InChI | InChI=1S/C10H10O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-7H,1H2,2H3 |
InChIKey | IRWAASJGTLXGMV-UHFFFAOYSA-N |
Molecular Weight | 146.189 g/mol |
SMILES | C1(=CC=C(C=C1)C(C)=C)C=O |
Spectrum/Structure Validation Score (Raman) | 0.956391 |