| SpectraBase Spectrum ID |
Fi2uC2RZ67J |
| Name |
(1S*,8R*,12R*)-2-oxo-3-Phenyltricyclo[6.3.1.0(4,12)]dodeca-3,10-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.135765199 u |
| Formula |
C18H18O |
| InChI |
InChI=1S/C18H18O/c19-18-15-11-5-9-12-8-4-10-14(16(12)15)17(18)13-6-2-1-3-7-13/h1-3,5-7,11-12,15-16H,4,8-10H2/t12-,15+,16+/m1/s1 |
| InChIKey |
UMTPVFJXGWUNSH-KCXAZCMYSA-N |
| Molecular Weight |
250.341 g/mol |
| SMILES |
C1(=C2[C@@]3([C@](CC=C[C@@]3(C1=O)[H])([H])CCC2)[H])C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892463 |
![(1S*,8R*,12R*)-2-Oxo-3-phenyltricyclo[6.3.1.0(4,12)]dodeca-3,10-diene](/api/spectrum/Fi2uC2RZ67J/structure.png?h=300&w=458 "(1S*,8R*,12R*)-2-Oxo-3-phenyltricyclo[6.3.1.0(4,12)]dodeca-3,10-diene")
