| SpectraBase Compound ID | AARJpTM7I62 |
|---|---|
| InChI | InChI=1S/C18H25N3O12/c1-8(22)28-6-13-14(29-9(2)23)15(30-10(3)24)16(31-11(4)25)18(33-13,32-12(5)26)7-20-21-17(19)27/h7,13-16H,6H2,1-5H3,(H3,19,21,27)/b20-7+/t13-,14-,15+,16+,18+/m0/s1 |
| InChIKey | JWXCTTHCPCXRBJ-QCOSEYHMSA-N |
| Mol Weight | 475.41 g/mol |
| Molecular Formula | C18H25N3O12 |
| Exact Mass | 475.143823 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2ZAoyysNNHq |
|---|---|
| Name | .alpha.-L-Mannose semicarbazone pentaacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 475.143823245 u |
| Formula | C18H25N3O12 |
| InChI | InChI=1S/C18H25N3O12/c1-8(22)28-6-13-14(29-9(2)23)15(30-10(3)24)16(31-11(4)25)18(33-13,32-12(5)26)7-20-21-17(19)27/h7,13-16H,6H2,1-5H3,(H3,19,21,27)/b20-7+/t13-,14-,15+,16+,18+/m0/s1 |
| InChIKey | JWXCTTHCPCXRBJ-QCOSEYHMSA-N |
| Molecular Weight | 475.407 g/mol |
| SMILES | [C@]1([C@@](O[C@]([C@@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)\C=N\NC(N)=O)(COC(=O)C)[H])(OC(C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978972 |