SpectraBase Spectrum ID |
8mJ7U7tBzee |
Name |
8-Methoxy-3,3-dimethyl-1,4-dihydronaphthalen-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
204.115029753 u |
Formula |
C13H16O2 |
InChI |
InChI=1S/C13H16O2/c1-13(2)8-9-5-4-6-11(15-3)10(9)7-12(13)14/h4-6H,7-8H2,1-3H3 |
InChIKey |
RAYCOYAJTUVTRA-UHFFFAOYSA-N |
Molecular Weight |
204.269 g/mol |
SMILES |
C1(=O)CC=2C(=CC=CC2CC1(C)C)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839253 |