SpectraBase Spectrum ID |
47uTzmVhfxU |
Name |
Dibenz[B,D]cycloheptanol, 2,3,9-trimethoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
300.136159120 u |
Formula |
C18H20O4 |
InChI |
InChI=1S/C18H20O4/c1-20-12-5-6-13-11(8-12)4-7-16(19)15-10-18(22-3)17(21-2)9-14(13)15/h5-6,8-10,16,19H,4,7H2,1-3H3 |
InChIKey |
SOUHKMJESBMQTR-UHFFFAOYSA-N |
Molecular Weight |
300.354 g/mol |
SMILES |
C1=2C3=C(C(CCC2C=C(C=C1)OC)O)C=C(C(=C3)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962213 |