| SpectraBase Spectrum ID |
6DkisjiDq24 |
| Name |
7,10:19,22:31,34-Triethenotribenzo[A,K,U]cyclotriacontene, 5,6,11,12,17,18,23,24,29,30,35,36-dodecahydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
624.375601546 u |
| Formula |
C48H48 |
| InChI |
InChI=1S/C48H48/c1-2-8-44-32-26-38-17-19-40(20-18-38)28-34-46-10-5-6-12-48(46)36-30-42-23-21-41(22-24-42)29-35-47-11-4-3-9-45(47)33-27-39-15-13-37(14-16-39)25-31-43(44)7-1/h1-13,15,17,19,21,23,25,28-29,31,34-35H,14,16,18,20,22,24,26-27,30,32-33,36H2/b31-25+,34-28+,35-29+ |
| InChIKey |
HTBULKJQPAACEI-OJLUHGTQSA-N |
| Molecular Weight |
624.912 g/mol |
| SMILES |
C1=2\C=C\C=3C(CCC=4CCC(\C=C\C5=C(CCC6=CC=C(\C=C\C7=C(CCC(=CC2)CC1)C=CC=C7)CC6)C=CC=C5)=CC4)=CC=CC3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819592 |
![7,10:19,22:31,34-Triethenotribenzo[a,k,u]cyclotriacontene, 5,6,11,12,17,18,23,24,29,30,35,36-dodecahydro-](/api/spectrum/6DkisjiDq24/structure.png?h=300&w=458 "7,10:19,22:31,34-Triethenotribenzo[a,k,u]cyclotriacontene, 5,6,11,12,17,18,23,24,29,30,35,36-dodecahydro-")
