SpectraBase Spectrum ID |
AOaUkRAKYjn |
Name |
1,8,10-Triphenyl-12-oxatetracyclo-[6.3.1.0(2,7).0(9,11)]dodeca-2,4,6-triene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
386.167065327 u |
Formula |
C29H22O |
InChI |
InChI=1S/C29H22O/c1-4-12-20(13-5-1)25-26-27(25)29(22-16-8-3-9-17-22)24-19-11-10-18-23(24)28(26,30-29)21-14-6-2-7-15-21/h1-19,25-27H |
InChIKey |
GFHMWWWBHGORNF-UHFFFAOYSA-N |
Molecular Weight |
386.494 g/mol |
SMILES |
C12(C3C(C3C=3C=CC=CC3)C(O2)(C2=CC=CC=C2)C=2C1=CC=CC2)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9787 |