| SpectraBase Spectrum ID |
5FuQXSDphPn |
| Name |
(+)-2-[(1S,2R,4as,8as)-decahydro-2,5,5,8A-tetramethylnaphthalen-1-yl]-2-hydroxyacetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.209264492 u |
| Formula |
C16H27NO |
| InChI |
InChI=1S/C16H27NO/c1-11-6-7-13-15(2,3)8-5-9-16(13,4)14(11)12(18)10-17/h11-14,18H,5-9H2,1-4H3/t11-,12?,13+,14-,16+/m1/s1 |
| InChIKey |
PBPCTWXQWLQEKV-QXFAHVSKSA-N |
| Molecular Weight |
249.398 g/mol |
| SMILES |
CC1([C@@]2(CC[C@]([C@@]([C@]2(CCC1)C)(C(O)C#N)[H])(C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898194 |
![(+)-2-[(1S,2R,4as,8as)-decahydro-2,5,5,8A-tetramethylnaphthalen-1-yl]-2-hydroxyacetonitrile](/api/spectrum/5FuQXSDphPn/structure.png?h=300&w=458 "(+)-2-[(1S,2R,4as,8as)-decahydro-2,5,5,8A-tetramethylnaphthalen-1-yl]-2-hydroxyacetonitrile")
