| SpectraBase Spectrum ID |
ASL1mPLW7fh |
| Name |
(Z)-(1R)-4-oxo-2-Adamantylidenepropene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.120115134 u |
| Formula |
C13H16O |
| InChI |
InChI=1S/C13H16O/c1-2-3-11-9-4-8-5-10(7-9)13(14)12(11)6-8/h2-3,8-10,12H,1,4-7H2/b11-3-/t8-,9+,10-,12-/m1/s1 |
| InChIKey |
KCDFKPBWEPWWEU-SGLITARTSA-N |
| Molecular Weight |
188.270 g/mol |
| SMILES |
[C@]12(\C([C@@]3([H])C[C@@](C2)(C[C@@](C1=O)(C3)[H])[H])=C/C=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86971 |
