SpectraBase Spectrum ID |
IHrZO4D25Vt |
Name |
6-Chloro-2,3-dihydro-1H-cyclopenta[B]naphthalene-4-carbaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.049842673 u |
Formula |
C14H11ClO |
InChI |
InChI=1S/C14H11ClO/c15-11-5-4-10-6-9-2-1-3-12(9)14(8-16)13(10)7-11/h4-8H,1-3H2 |
InChIKey |
JNXFTEMBOXSUDV-UHFFFAOYSA-N |
Molecular Weight |
230.694 g/mol |
SMILES |
C1(=C2C(=CC=3C1=CC(=CC3)Cl)CCC2)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860632 |