| SpectraBase Spectrum ID |
FV2d9xjx57r |
| Name |
7-Deoxy-6-epi-castano-spermine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
173.105193344 u |
| Formula |
C8H15NO3 |
| InChI |
InChI=1S/C8H15NO3/c10-5-3-7(12)8-6(11)1-2-9(8)4-5/h5-8,10-12H,1-4H2/t5-,6-,7-,8+/m0/s1 |
| InChIKey |
CTNHKDHQKRJTIU-DKXJUACHSA-N |
| Molecular Weight |
173.212 g/mol |
| SMILES |
C1N2[C@]([C@](C1)(O)[H])([C@](C[C@@](C2)(O)[H])(O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883981 |
