SpectraBase Spectrum ID |
HFXQr5KP6V6 |
Name |
2,4-Dimethyl-9-mesitylindano[2,3-B]indene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
350.203450837 u |
Formula |
C27H26 |
InChI |
InChI=1S/C27H26/c1-15-10-17(3)24(18(4)11-15)26-21-8-6-7-9-22(21)27-23(26)14-20-13-16(2)12-19(5)25(20)27/h6-13,26H,14H2,1-5H3 |
InChIKey |
ZWWPLMNZPMAGTG-UHFFFAOYSA-N |
Molecular Weight |
350.505 g/mol |
SMILES |
C12=C(C(C3=C(C=C(C=C3C)C)C)C=3C1=CC=CC3)CC1=C2C(=CC(C)=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805508 |