SpectraBase Spectrum ID |
K9EMk8coWvM |
Name |
Dibenz[C,E]cycloheptene, 3,4,7-trimethoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
282.125594437 u |
Formula |
C18H18O3 |
InChI |
InChI=1S/C18H18O3/c1-19-14-8-9-15-13(11-14)6-4-5-12-7-10-16(20-2)18(21-3)17(12)15/h4-5,7-11H,6H2,1-3H3 |
InChIKey |
FRYVBPPDFXQNEW-UHFFFAOYSA-N |
SMILES |
C12=C(C=CCC3=C2C=CC(=C3)OC)C=CC(=C1OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875428 |