| SpectraBase Spectrum ID |
D9IYPQoePfN |
| Name |
Trans-2-benzoylspiro[2.14]heptadecane-1-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.271864750 u |
| Formula |
C25H35NO |
| InChI |
InChI=1S/C25H35NO/c26-20-22-23(24(27)21-16-12-11-13-17-21)25(22)18-14-9-7-5-3-1-2-4-6-8-10-15-19-25/h11-13,16-17,22-23H,1-10,14-15,18-19H2/t22-,23+/m0/s1 |
| InChIKey |
YMDAKFWRYKGKRX-XZOQPEGZSA-N |
| Molecular Weight |
365.561 g/mol |
| SMILES |
C12([C@@](C(=O)C3=CC=CC=C3)([C@@]1(C#N)[H])[H])CCCCCCCCCCCCCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856731 |
![Trans-2-benzoylspiro[2.14]heptadecane-1-carbonitrile](/api/spectrum/D9IYPQoePfN/structure.png?h=300&w=458 "Trans-2-benzoylspiro[2.14]heptadecane-1-carbonitrile")
