| SpectraBase Compound ID | 25oj6IAZRPS |
|---|---|
| InChI | InChI=1S/C18H34O6/c19-15(11-7-3-1-5-9-13-17(21)22)16(20)12-8-4-2-6-10-14-18(23)24/h15-16,19-20H,1-14H2,(H,21,22)(H,23,24)/t15-,16-/m1/s1 InChI=1S/C18H34O6/c19-15(11-7-3-1-5-9-13-17(21)22)16(20)12-8-4-2-6-10-14-18(23)24/h15-16,19-20H,1-14H2,(H,21,22)(H,23,24)/t15-,16-/m0/s1 |
| InChIKey | NQBSWIGTUPEPIH-HZPDHXFCSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C18H34O6 |
| Exact Mass | 346.235539 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HN80keylKs5 |
|---|---|
| Name | Threo-9,10-dihydroxyoctadecanedioic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.235538809 u |
| Formula | C18H34O6 |
| InChI | InChI=1S/C18H34O6/c19-15(11-7-3-1-5-9-13-17(21)22)16(20)12-8-4-2-6-10-14-18(23)24/h15-16,19-20H,1-14H2,(H,21,22)(H,23,24)/t15-,16-/m1/s1 |
| InChIKey | NQBSWIGTUPEPIH-HZPDHXFCSA-N |
| SMILES | OC(CCCCCCC[C@]([C@@](CCCCCCCC(O)=O)(O)[H])(O)[H])=O |
| Spectrum/Structure Validation Score (Raman) | 0.87436 |