| SpectraBase Spectrum ID |
6uJfjmdGlf1 |
| Name |
3-Adamantan-1-yl-butan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.167065327 u |
| Formula |
C14H22O |
| InChI |
InChI=1S/C14H22O/c1-9(10(2)15)14-6-11-3-12(7-14)5-13(4-11)8-14/h9,11-13H,3-8H2,1-2H3/t9?,11-,12+,13-,14- |
| InChIKey |
ULOWHGWPZYDKIN-SXVZNOMCSA-N |
| Molecular Weight |
206.329 g/mol |
| SMILES |
C12(C(C(=O)C)C)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9375 |
