| SpectraBase Spectrum ID |
8C00s6sfXI2 |
| Name |
2-Chloro-3-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
184.065492738 u |
| Formula |
C10H13ClO |
| InChI |
InChI=1S/C10H13ClO/c1-7(2)9-5-3-4-8(6-12)10(9)11/h5-7H,3-4H2,1-2H3 |
| InChIKey |
AOPSGNMEZHKKFN-UHFFFAOYSA-N |
| Molecular Weight |
184.666 g/mol |
| SMILES |
C(=O)C1=C(C(=CCC1)C(C)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976662 |
