SpectraBase Compound ID | DoGxX5Oces2 |
---|---|
InChI | InChI=1S/C7H10O3/c1-4(8)7(5(2)9)6(3)10/h8H,1-3H3 |
InChIKey | IZKUHUPRYVVSHM-UHFFFAOYSA-N |
Mol Weight | 142.15 g/mol |
Molecular Formula | C7H10O3 |
Exact Mass | 142.062994 g/mol |
SpectraBase Spectrum ID | 60Yi5XRf6mZ |
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Name | Triacylmethane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 142.062994179 u |
Formula | C7H10O3 |
InChI | InChI=1S/C7H10O3/c1-4(8)7(5(2)9)6(3)10/h8H,1-3H3 |
InChIKey | IZKUHUPRYVVSHM-UHFFFAOYSA-N |
SMILES | C(=O)(C)C(=C(O)C)C(=O)C |
Spectrum/Structure Validation Score (Raman) | 0.804844 |