| SpectraBase Spectrum ID |
67ABrEaqbUh |
| Name |
1-((2S,3S)-2,3-Dimethylbicyclo[2.2.1]heptan-2-yl)but-3-en-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.167065327 u |
| Formula |
C13H22O |
| InChI |
InChI=1S/C13H22O/c1-4-5-12(14)13(3)9(2)10-6-7-11(13)8-10/h4,9-12,14H,1,5-8H2,2-3H3/t9-,10-,11+,12?,13+/m0/s1 |
| InChIKey |
NLDFRHZLIDNLNL-GVWAJWJKSA-N |
| Molecular Weight |
194.318 g/mol |
| SMILES |
C1C[C@]2(C[C@@]1([C@]([C@]2(C)[H])(C)C(CC=C)O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966688 |
![1-((2S,3S)-2,3-dimethylbicyclo[2.2.1]heptan-2-yl)but-3-en-1-ol](/api/spectrum/67ABrEaqbUh/structure.png?h=300&w=458 "1-((2S,3S)-2,3-dimethylbicyclo[2.2.1]heptan-2-yl)but-3-en-1-ol")
