SpectraBase Spectrum ID |
Ll5pDgisCBA |
Name |
1-(Adamantyl-1)hexen-6-ol-1 |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
234.198365456 u |
Formula |
C16H26O |
InChI |
InChI=1S/C16H26O/c17-6-4-2-1-3-5-16-10-13-7-14(11-16)9-15(8-13)12-16/h3,5,13-15,17H,1-2,4,6-12H2/b5-3+/t13-,14+,15-,16+ |
InChIKey |
MOHBOXHUQWLOED-LMCUDZPJSA-N |
Molecular Weight |
234.383 g/mol |
SMILES |
C(O)CCC\C=C\C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892741 |