| SpectraBase Spectrum ID |
3rXYfGYZAh8 |
| Name |
(1-beta,2-alpha,6-beta,9-alpha)-9-Methylamino-5-alpha-dimethoxymethyl-5-beta-methyl-bicyclo-[4.3.0]-nonan-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.199093730 u |
| Formula |
C14H27NO3 |
| InChI |
InChI=1S/C14H27NO3/c1-14(13(17-3)18-4)8-7-11(16)12-9(14)5-6-10(12)15-2/h9-13,15-16H,5-8H2,1-4H3/t9-,10?,11-,12-,14+/m0/s1 |
| InChIKey |
PZRBXJBUBIJITC-CDDBRJDNSA-N |
| Molecular Weight |
257.374 g/mol |
| SMILES |
COC(OC)[C@]1(C)CC[C@](O)([C@]2([C@@]1(CCC2NC)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860998 |
![(1-beta,2-alpha,6-beta,9-alpha)-9-Methylamino-5-alpha-dimethoxymethyl-5-beta-methyl-bicyclo-[4.3.0]-nonan-2-ol](/api/spectrum/3rXYfGYZAh8/structure.png?h=300&w=458 "(1-beta,2-alpha,6-beta,9-alpha)-9-Methylamino-5-alpha-dimethoxymethyl-5-beta-methyl-bicyclo-[4.3.0]-nonan-2-ol")
