| SpectraBase Spectrum ID |
3qPLfT4AAir |
| Name |
Nonacyclo[35.3.1.1(4,8).1(7,11).1(14,18).1(17,21).1(24,28).1(27,31).1(34,38)]octate traconta-1(41),2,4,6,8(48),9,11(47),12,14,16,18(46),19,21(45),22,24,2 6,28(44),29,31(43),32,34,36,38(42),39-tetracosaene |
| Alternate Name(s) |
nonacyclo[35.3.1.1(4,8).1(7,11).1(14,18).1(17,21).1(24,28).1(27,31).1(34,38)]octatetraconta-1(41),2,4(48),5,7,7(47),8,10,12,14(46),15,17,19,21(45),22,24,25,27,29,31(43),32,34(42),35,37,39-pentacosaene
[2(4)](2,6)naphthalenophanetetraene |
| CAS Registry Number |
72862-28-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H32 |
| InChI |
InChI=1S/C48H32/c1-2-34-10-18-44-28-36(12-20-43(44)26-34)5-6-38-14-22-48-32-40(16-24-47(48)30-38)8-7-39-15-23-45-29-37(13-21-46(45)31-39)4-3-35-11-19-41-25-33(1)9-17-42(41)27-35/h1-32H/b2-1-,4-3-,6-5-,8-7-,33-1-,34-2+,35-3+,36-5-,37-4-,38-6+,39-7+,40-8- |
| InChIKey |
YUDLUNANXCXQGB-FSFQPNGMSA-N |
| Molecular Weight |
608.784 g/mol |
| SMILES |
c12c3cc(\C=C/c4cc5ccc(\C=C/c6cc7ccc(cc7cc6)\C=C/c6cc7ccc(cc7cc6)\C=C/c(c1)cc3)cc5cc4)cc2 |
| SPLASH |
splash10-0a4i-0000009000-60e0705d7a844a98773e |
| Source of Spectrum |
SB-33-447-0 |
| Wiley ID |
1410806 |
![Nonacyclo[35.3.1.1(4,8).1(7,11).1(14,18).1(17,21).1(24,28).1(27,31).1(34,38)]octate traconta-1(41),2,4,6,8(48),9,11(47),12,14,16,18(46),19,21(45),22,24,2 6,28(44),29,31(43),32,34,36,38(42),39-tetracosaene](/api/spectrum/3qPLfT4AAir/structure.png?h=300&w=458 "Nonacyclo[35.3.1.1(4,8).1(7,11).1(14,18).1(17,21).1(24,28).1(27,31).1(34,38)]octate traconta-1(41),2,4,6,8(48),9,11(47),12,14,16,18(46),19,21(45),22,24,2 6,28(44),29,31(43),32,34,36,38(42),39-tetracosaene")
