| SpectraBase Spectrum ID |
Bmty2FbyBs7 |
| Name |
Propanedinitrile, (2-methoxy-9H-1,8-[1]propen[1]yl[3]ylidene-5H-benzocyclohepten-5-ylidene)-, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.094963013 u |
| Formula |
C18H12N2O |
| InChI |
InChI=1S/C18H12N2O/c1-21-18-8-7-15-14(13(10-19)11-20)6-5-12-3-2-4-16(18)17(15)9-12/h2-8H,9H2,1H3 |
| InChIKey |
VBRGCYKSBRCTHY-UHFFFAOYSA-N |
| Molecular Weight |
272.307 g/mol |
| SMILES |
C1(C=2C3=C(C=CC=C(C=C1)C3)C(=CC2)OC)=C(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839278 |
![Propanedinitrile, (2-methoxy-9H-1,8-[1]propen[1]yl[3]ylidene-5H-benzocyclohepten-5-ylidene)-, (.+-.)-](/api/spectrum/Bmty2FbyBs7/structure.png?h=300&w=458 "Propanedinitrile, (2-methoxy-9H-1,8-[1]propen[1]yl[3]ylidene-5H-benzocyclohepten-5-ylidene)-, (.+-.)-")
