| SpectraBase Spectrum ID |
KFZaZt7qrm9 |
| Name |
Marchantin m trimethyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.209324061 u |
| Formula |
C31H30O5 |
| InChI |
InChI=1S/C31H30O5/c1-32-27-17-18-29(34-3)31-26(27)15-11-21-9-13-24(14-10-21)35-30-20-23(12-16-28(30)33-2)8-7-22-5-4-6-25(19-22)36-31/h4-6,9-10,12-14,16-20H,7-8,11,15H2,1-3H3 |
| InChIKey |
LIFZSJYBPMGNMT-UHFFFAOYSA-N |
| Molecular Weight |
482.576 g/mol |
| SMILES |
C12=C(CCC3=CC=C(OC4=CC(CCC5=CC(O2)=CC=C5)=CC=C4OC)C=C3)C(OC)=CC=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934527 |
