| SpectraBase Spectrum ID |
JI3JKVAGhMs |
| Name |
(3ar,4S,8S,8ar)-2,2-Dimethyl-4,5,6,7,8,8A-hexahydro-3ah-[1,3]dioxolo[4,5-D]azepine-4,8-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.115758027 u |
| Formula |
C9H17NO4 |
| InChI |
InChI=1S/C9H17NO4/c1-9(2)13-7-5(11)3-10-4-6(12)8(7)14-9/h5-8,10-12H,3-4H2,1-2H3/t5-,6-,7+,8+/m0/s1 |
| InChIKey |
AKUSLLHIAYPHDT-RULNZFCNSA-N |
| Molecular Weight |
203.238 g/mol |
| SMILES |
[C@@]12([C@](OC(O2)(C)C)([C@](CNC[C@@]1(O)[H])(O)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896041 |
![(3aR,4S,8S,8aR)-2,2-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-[1,3]dioxolo[4,5-d]azepine-4,8-diol](/api/spectrum/JI3JKVAGhMs/structure.png?h=300&w=458 "(3aR,4S,8S,8aR)-2,2-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-[1,3]dioxolo[4,5-d]azepine-4,8-diol")
