| SpectraBase Spectrum ID |
82MG9syRGy7 |
| Name |
D-Ribitol, 1-deoxy-1-(3-hydroxy-3-methyl-2-oxo-1-pyrrolidinyl)-, 2,3,4,5-tetraacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.163496063 u |
| Formula |
C18H27NO10 |
| InChI |
InChI=1S/C18H27NO10/c1-10(20)26-9-15(28-12(3)22)16(29-13(4)23)14(27-11(2)21)8-19-7-6-18(5,25)17(19)24/h14-16,25H,6-9H2,1-5H3/t14-,15+,16-,18?/m0/s1 |
| InChIKey |
YOXTWYRNBALFHP-MNTYIPCHSA-N |
| Molecular Weight |
417.411 g/mol |
| SMILES |
C1(N(CCC1(O)C)C[C@@]([C@@]([C@](OC(=O)C)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936743 |
