SpectraBase Compound ID | A3S2GrohQ48 |
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InChI | InChI=1S/C6H10O3/c1-6(8)3-2-4-9-5-7/h5H,2-4H2,1H3 |
InChIKey | UUGPQIGKAFRSKA-UHFFFAOYSA-N |
Mol Weight | 130.14 g/mol |
Molecular Formula | C6H10O3 |
Exact Mass | 130.062994 g/mol |
SpectraBase Spectrum ID | JkzcM1G7IuZ |
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Name | 4-Oxopentyl formate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 130.062994179 u |
Formula | C6H10O3 |
InChI | InChI=1S/C6H10O3/c1-6(8)3-2-4-9-5-7/h5H,2-4H2,1H3 |
InChIKey | UUGPQIGKAFRSKA-UHFFFAOYSA-N |
SMILES | C(=O)OCCCC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943247 |