| SpectraBase Compound ID | F8WjB6hBpGM |
|---|---|
| InChI | InChI=1S/C7H12O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-6,8-12H,1H2 |
| InChIKey | SUNCWTXGGFSVJR-UHFFFAOYSA-N |
| Mol Weight | 208.17 g/mol |
| Molecular Formula | C7H12O7 |
| Exact Mass | 208.058303 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DSmIndCpptD |
|---|---|
| Name | D-Glucoheptonic acid, delta-lactone; heptonic acid, delta-lactone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.058302719 u |
| Formula | C7H12O7 |
| InChI | InChI=1S/C7H12O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-6,8-12H,1H2 |
| InChIKey | SUNCWTXGGFSVJR-UHFFFAOYSA-N |
| SMILES | OCC(C1C(C(C(C(O1)=O)O)O)O)O |
| Spectrum/Structure Validation Score (Raman) | 0.951449 |