SpectraBase Compound ID | RdR0z5NPkQ |
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InChI | InChI=1S/C7H10O4/c8-5-3-1-2-4(5)6(9)7(10)11/h4,6,9H,1-3H2,(H,10,11) |
InChIKey | OVAYIDFQSUGAAD-UHFFFAOYSA-N |
Mol Weight | 158.15 g/mol |
Molecular Formula | C7H10O4 |
Exact Mass | 158.057909 g/mol |
SpectraBase Spectrum ID | 2e2t276K7Nv |
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Name | Hydroxy(2-oxocyclopentyl)acetic acid |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 158.057908798 u |
Formula | C7H10O4 |
InChI | InChI=1S/C7H10O4/c8-5-3-1-2-4(5)6(9)7(10)11/h4,6,9H,1-3H2,(H,10,11) |
InChIKey | OVAYIDFQSUGAAD-UHFFFAOYSA-N |
SMILES | C1(C(C(=O)O)O)C(=O)CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840908 |