| SpectraBase Spectrum ID |
GvN8BR8mv9e |
| Name |
(1S,2S,3R,4S)-4-Acetamido-1,2,3-tri-o-acetyl-5-methylenecyclopentane-1,2,3-triol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.116151949 u |
| Formula |
C14H19NO7 |
| InChI |
InChI=1S/C14H19NO7/c1-6-11(15-7(2)16)13(21-9(4)18)14(22-10(5)19)12(6)20-8(3)17/h11-14H,1H2,2-5H3,(H,15,16)/t11-,12-,13+,14-/m0/s1 |
| InChIKey |
TWYIYLLOLMQYEB-FQUUOJAGSA-N |
| Molecular Weight |
313.306 g/mol |
| SMILES |
C1([C@@]([C@@](OC(=O)C)([C@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])[H])(NC(=O)C)[H])=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98484 |
