| SpectraBase Spectrum ID |
JmFNBgROrOm |
| Name |
(2R,3R,4R,5R)-5-Amino-2,3:4,6-diisopropylidenedioxyhexanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.157622840 u |
| Formula |
C12H23NO5 |
| InChI |
InChI=1S/C12H23NO5/c1-11(2)15-6-7(13)9(17-11)10-8(5-14)16-12(3,4)18-10/h7-10,14H,5-6,13H2,1-4H3/t7-,8-,9-,10+/m1/s1 |
| InChIKey |
GFIGINMAWGKMJI-KYXWUPHJSA-N |
| Molecular Weight |
261.318 g/mol |
| SMILES |
[C@@]1([C@@]2(OC(C)(C)OC[C@]2(N)[H])[H])(OC(C)(C)O[C@@]1(CO)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957232 |
