| SpectraBase Spectrum ID |
7kL9XOCx864 |
| Name |
cis-(5-Phenyltetrahydrofuran-2-yl)acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
187.099714042 u |
| Formula |
C12H13NO |
| InChI |
InChI=1S/C12H13NO/c13-9-8-11-6-7-12(14-11)10-4-2-1-3-5-10/h1-5,11-12H,6-8H2/t11-,12+/m1/s1 |
| InChIKey |
QGMFHRMIUPIZQX-NEPJUHHUSA-N |
| Molecular Weight |
187.242 g/mol |
| SMILES |
[C@]1(O[C@](CC1)(CC#N)[H])(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855747 |
