| SpectraBase Spectrum ID |
GU8uT7AuI4t |
| Name |
Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene, 2-isothiocyanato- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
199.045570468 u |
| Formula |
C12H9NS |
| InChI |
InChI=1S/C12H9NS/c14-9-13-12-7-3-5-10-4-1-2-6-11(12)8-10/h1-7H,8H2 |
| InChIKey |
RIMGCVSPMNMLDZ-UHFFFAOYSA-N |
| Molecular Weight |
199.271 g/mol |
| SMILES |
C12=C(N=C=S)C=CC=C(C2)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909828 |
![Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene, 2-isothiocyanato-](/api/spectrum/GU8uT7AuI4t/structure.png?h=300&w=458 "Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene, 2-isothiocyanato-")
