SpectraBase Spectrum ID |
2dgNmA5JwFd |
Name |
Benzo[H]quinoline-6-carboxaldehyde, 1,2,3,4-tetrahydro-1-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.115364106 u |
Formula |
C15H15NO |
InChI |
InChI=1S/C15H15NO/c1-16-8-4-5-11-9-12(10-17)13-6-2-3-7-14(13)15(11)16/h2-3,6-7,9-10H,4-5,8H2,1H3 |
InChIKey |
PSTBUDBQPBUSAH-UHFFFAOYSA-N |
Molecular Weight |
225.291 g/mol |
SMILES |
CN1CCCC2=C1C1=CC=CC=C1C(=C2)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957669 |