| SpectraBase Spectrum ID |
IyGdS9w7hzE |
| Name |
2H-Pyran, 2-(1-bromoethyl)tetrahydro-2,5-dimethyl-6-pentyl-, [2S-[2.alpha.(S*),5.beta.,6.beta.]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.124528488 u |
| Formula |
C14H27BrO |
| InChI |
InChI=1S/C14H27BrO/c1-5-6-7-8-13-11(2)9-10-14(4,16-13)12(3)15/h11-13H,5-10H2,1-4H3/t11-,12+,13-,14-/m0/s1 |
| InChIKey |
ZATYJQNEDVUGLX-CRWXNKLISA-N |
| Molecular Weight |
291.273 g/mol |
| SMILES |
[C@]1(O[C@]([C@](CC1)(C)[H])(CCCCC)[H])([C@](Br)(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939623 |
![2H-Pyran, 2-(1-bromoethyl)tetrahydro-2,5-dimethyl-6-pentyl-, [2S-[2.alpha.(S*),5.beta.,6.beta.]]-](/api/spectrum/IyGdS9w7hzE/structure.png?h=300&w=458 "2H-Pyran, 2-(1-bromoethyl)tetrahydro-2,5-dimethyl-6-pentyl-, [2S-[2.alpha.(S*),5.beta.,6.beta.]]-")
