SpectraBase Spectrum ID |
LGM78GSsIIK |
Name |
6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone, ac derivative |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
204.078644243 u |
Formula |
C12H12O3 |
InChI |
InChI=1S/C12H12O3/c1-8(13)15-10-5-6-11-9(7-10)3-2-4-12(11)14/h5-7H,2-4H2,1H3 |
InChIKey |
LJBZUZWBASMLAU-UHFFFAOYSA-N |
Molecular Weight |
204.225 g/mol |
SMILES |
C1(CCCC2=C1C=CC(=C2)OC(C)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834071 |