SpectraBase Spectrum ID |
5pxthgCNs2h |
Name |
Dibenz[C,E]cyclohepten, 2,3,9-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/c1-19-14-7-8-15-12(9-14)5-4-6-13-10-17(20-2)18(21-3)11-16(13)15/h4,6-11H,5H2,1-3H3 |
InChIKey |
MOORZJQSKYEEAX-UHFFFAOYSA-N |
SMILES |
C12=C(C=CCC3=C2C=CC(=C3)OC)C=C(C(=C1)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926348 |