| SpectraBase Spectrum ID |
2Z1vSiXtV8F |
| Name |
1-Nonen-3-one, 1-(2-chlorophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.112442931 u |
| Formula |
C15H19ClO |
| InChI |
InChI=1S/C15H19ClO/c1-2-3-4-5-9-14(17)12-11-13-8-6-7-10-15(13)16/h6-8,10-12H,2-5,9H2,1H3/b12-11+ |
| InChIKey |
HBVVTEYMQYVCTF-VAWYXSNFSA-N |
| Molecular Weight |
250.769 g/mol |
| SMILES |
C1(\C=C\C(CCCCCC)=O)=C(Cl)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924803 |
