| SpectraBase Spectrum ID |
2byc7ukhFpN |
| Name |
exo/Endo-7-phenylthio-2-oxabicyclo[4.1.0]heptane-7-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.071785216 u |
| Formula |
C13H13NOS |
| InChI |
InChI=1S/C13H13NOS/c14-9-13(11-7-4-8-15-12(11)13)16-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-8H2 |
| InChIKey |
VOJNWJXRYFNIBQ-UHFFFAOYSA-N |
| Molecular Weight |
231.313 g/mol |
| SMILES |
C1(C2CCCOC12)(C#N)SC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835012 |
![exo/Endo-7-phenylthio-2-oxabicyclo[4.1.0]heptane-7-carbonitrile](/api/spectrum/2byc7ukhFpN/structure.png?h=300&w=458 "exo/Endo-7-phenylthio-2-oxabicyclo[4.1.0]heptane-7-carbonitrile")
