SpectraBase Spectrum ID |
HmevN2kCPo3 |
Name |
Chroman-4-one, 2,3-dehydro-3-hydroxy-2-(4-dimethylaminophenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
281.105193344 u |
Formula |
C17H15NO3 |
InChI |
InChI=1S/C17H15NO3/c1-18(2)12-9-7-11(8-10-12)17-16(20)15(19)13-5-3-4-6-14(13)21-17/h3-10,20H,1-2H3 |
InChIKey |
BLHYLBIDBHWACD-UHFFFAOYSA-N |
SMILES |
C1(=C(OC=2C(C1=O)=CC=CC2)C1=CC=C(C=C1)N(C)C)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817891 |