SpectraBase Spectrum ID |
B6r5EucF005 |
Name |
1-(2,2-Dimethyl-3,4-dihydrobenzo[H]chromen-6-yl)ethanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
254.130679818 u |
Formula |
C17H18O2 |
InChI |
InChI=1S/C17H18O2/c1-11(18)15-10-12-8-9-17(2,3)19-16(12)14-7-5-4-6-13(14)15/h4-7,10H,8-9H2,1-3H3 |
InChIKey |
OGQLOAHZUODQML-UHFFFAOYSA-N |
Molecular Weight |
254.329 g/mol |
SMILES |
C12=C3C(C=CC=C3)=C(C=C1CCC(O2)(C)C)C(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935854 |