SpectraBase Spectrum ID |
1554pojVcrv |
Name |
Dibenz[A,C]cycloheptane, 1,2,9-trimethoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
284.141244501 u |
Formula |
C18H20O3 |
InChI |
InChI=1S/C18H20O3/c1-19-14-8-9-15-13(11-14)6-4-5-12-7-10-16(20-2)18(21-3)17(12)15/h7-11H,4-6H2,1-3H3 |
InChIKey |
RXGOTYVVIHAHDV-UHFFFAOYSA-N |
SMILES |
C12=C(CCCC3=C2C=CC(=C3)OC)C=CC(=C1OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922022 |