SpectraBase Spectrum ID |
B0OJNd1v6gn |
Name |
9-Hydroxymethyl-9,10-dihydro-2-chloro acridine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
245.060741709 u |
Formula |
C14H12ClNO |
InChI |
InChI=1S/C14H12ClNO/c15-9-5-6-14-11(7-9)12(8-17)10-3-1-2-4-13(10)16-14/h1-7,12,16-17H,8H2 |
InChIKey |
ZOJMTZWCWQHNKS-UHFFFAOYSA-N |
Molecular Weight |
245.709 g/mol |
SMILES |
C1(Cl)=CC=C2C(=C1)C(CO)C=1C=CC=CC1N2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85939 |