| SpectraBase Spectrum ID |
3K1DJkdzTy2 |
| Name |
(1R,2R,5S,6S)-7-oxa-Tricyclo[4.2.2.0*2,5*]decan-8-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
152.083729624 u |
| Formula |
C9H12O2 |
| InChI |
InChI=1S/C9H12O2/c10-9-7-3-4-8(11-9)6-2-1-5(6)7/h5-8H,1-4H2/t5-,6+,7-,8+/m1/s1 |
| InChIKey |
IWIAMQPLAFIEHV-CWKFCGSDSA-N |
| Molecular Weight |
152.193 g/mol |
| SMILES |
C1(O[C@@]2([C@@]3([C@]([C@]1(CC2)[H])(CC3)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965243 |
![(1R,2R,5S,6S)-7-Oxa-tricyclo[4.2.2.0*2,5*]decan-8-one](/api/spectrum/3K1DJkdzTy2/structure.png?h=300&w=458 "(1R,2R,5S,6S)-7-Oxa-tricyclo[4.2.2.0*2,5*]decan-8-one")
