| SpectraBase Spectrum ID |
EiZq1aliSao |
| Name |
(1R,5S)-1,3,3,4,4-Pentamethylbicyclo[3.2.1]octan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.167065327 u |
| Formula |
C13H22O |
| InChI |
InChI=1S/C13H22O/c1-11(2)9-6-7-13(5,8-9)10(14)12(11,3)4/h9H,6-8H2,1-5H3/t9-,13+/m0/s1 |
| InChIKey |
QBKXWHRSCLEIKN-TVQRCGJNSA-N |
| Molecular Weight |
194.318 g/mol |
| SMILES |
CC1(C([C@@]2(CC[C@@](C2)(C1(C)C)[H])C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971333 |
![(1R,5S)-1,3,3,4,4-Pentamethylbicyclo[3.2.1]octan-2-one](/api/spectrum/EiZq1aliSao/structure.png?h=300&w=458 "(1R,5S)-1,3,3,4,4-Pentamethylbicyclo[3.2.1]octan-2-one")
