| SpectraBase Spectrum ID |
JKk0tJ5k0LJ |
| Name |
(1R,3R,6S,8S)-8-Methyl-8-phenyl-3-oxa-tricyclo[4.2.0.0*2,4*]octan-7-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.099379689 u |
| Formula |
C14H14O2 |
| InChI |
InChI=1S/C14H14O2/c1-14(8-5-3-2-4-6-8)11-9(13(14)15)7-10-12(11)16-10/h2-6,9-12H,7H2,1H3/t9-,10-,11-,12-,14+/m0/s1 |
| InChIKey |
BOUDIYKRKUHTFK-CUOUOBHDSA-N |
| Molecular Weight |
214.264 g/mol |
| SMILES |
[C@]12(O[C@]2(C[C@@]2(C(=O)[C@@]([C@]12[H])(C=1C=CC=CC1)C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972243 |
![(1R,3R,6S,8S)-8-Methyl-8-phenyl-3-oxa-tricyclo[4.2.0.0*2,4*]octan-7-one](/api/spectrum/JKk0tJ5k0LJ/structure.png?h=300&w=458 "(1R,3R,6S,8S)-8-Methyl-8-phenyl-3-oxa-tricyclo[4.2.0.0*2,4*]octan-7-one")
