| SpectraBase Spectrum ID |
CZ8dHVM96vc |
| Name |
1-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1-pentanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.182715392 u |
| Formula |
C14H24O |
| InChI |
InChI=1S/C14H24O/c1-4-5-6-12(15)13-10-7-8-11(9-10)14(13,2)3/h10-11,13H,4-9H2,1-3H3/t10-,11-,13-/m0/s1 |
| InChIKey |
QIAIXVDDNZTBKB-GVXVVHGQSA-N |
| Molecular Weight |
208.345 g/mol |
| SMILES |
C1([C@@]([C@@]2(C[C@@]1(CC2)[H])[H])(C(=O)CCCC)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940943 |
![1-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1-pentanone](/api/spectrum/CZ8dHVM96vc/structure.png?h=300&w=458 "1-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1-pentanone")
