| SpectraBase Spectrum ID |
3S9dPLzeEdo |
| Name |
Ethanone,1-[octahydro-3A',7A'-dimethyl-4',7'-methano-1'H-inden-1'-yl-(1'alpha,3A'alpha,4'beta,7'beta,7A'alpha)] |
| 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(15)12-6-7-13(2)10-4-5-11(8-10)14(12,13)3/h10-12H,4-8H2,1-3H3/t10-,11+,12+,13+,14+/m0/s1 |
| InChIKey |
ZVJYJEILWCYOQE-RYMFRWLXSA-N |
| Molecular Weight |
206.329 g/mol |
| SMILES |
[C@@]12([C@]3(CC[C@@]([C@@]2([C@@](C(C)=O)(CC1)[H])C)(C3)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816426 |
![Ethanone,1-[octahydro-3a',7a'-dimethyl-4',7'-methano-1'H-inden-1'-yl-(1'alpha,3a'alpha,4'beta,7'beta,7a'alpha)]](/api/spectrum/3S9dPLzeEdo/structure.png?h=300&w=458 "Ethanone,1-[octahydro-3a',7a'-dimethyl-4',7'-methano-1'H-inden-1'-yl-(1'alpha,3a'alpha,4'beta,7'beta,7a'alpha)]")
