| SpectraBase Spectrum ID |
7gEGvcLgNEA |
| Name |
2-[5-(Phenoxymethyl)-1,3-oxathiolan-2-ylidene]propanedinitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.046298742 u |
| Formula |
C13H10N2O2S |
| InChI |
InChI=1S/C13H10N2O2S/c14-6-10(7-15)13-17-12(9-18-13)8-16-11-4-2-1-3-5-11/h1-5,12H,8-9H2 |
| InChIKey |
TYOVQUWHOYKWGF-UHFFFAOYSA-N |
| Molecular Weight |
258.295 g/mol |
| SMILES |
C(C(C#N)=C1OC(CS1)COC=1C=CC=CC1)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925913 |
![2-[5-(Phenoxymethyl)-1,3-oxathiolan-2-ylidene]propanedinitrile](/api/spectrum/7gEGvcLgNEA/structure.png?h=300&w=458 "2-[5-(Phenoxymethyl)-1,3-oxathiolan-2-ylidene]propanedinitrile")
