| SpectraBase Spectrum ID |
BSUPo0qV6Ze |
| Name |
Indan-2-one, 1-[2-chlorobenzylidene]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.049842673 u |
| Formula |
C16H11ClO |
| InChI |
InChI=1S/C16H11ClO/c17-15-8-4-2-6-12(15)9-14-13-7-3-1-5-11(13)10-16(14)18/h1-9H,10H2/b14-9+ |
| InChIKey |
YBBWYTYURVYFFU-NTEUORMPSA-N |
| Molecular Weight |
254.716 g/mol |
| SMILES |
C1=CC=CC2=C1\C(=C/C1=C(C=CC=C1)Cl)C(C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922334 |
![Indan-2-one, 1-[2-chlorobenzylidene]-](/api/spectrum/BSUPo0qV6Ze/structure.png?h=300&w=458 "Indan-2-one, 1-[2-chlorobenzylidene]-")
