| SpectraBase Spectrum ID |
CvA7DGumhmr |
| Name |
13-Phenylhexacyclo[11.6.6.0(14,19).0(20,25)]pentaeicosane-3,5(10),6,8,11,14(19),15,17,19,20(25),21,23-dodecaene |
| Alternate Name(s) |
1-phenylhexacyclo[11.6.6.0(2,11).0(4,9).0(14,19).0(20,25)]pentacosa-2(11),3,5,7,9,14,16,18,20,22,24-undecaene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H22 |
| InChI |
InChI=1S/C31H22/c1-2-12-24(13-3-1)31-28-16-8-6-14-25(28)27(26-15-7-9-17-29(26)31)19-23-18-21-10-4-5-11-22(21)20-30(23)31/h1-18,20,27H,19H2/t27-,31+ |
| InChIKey |
LEWMZCJBHILYGD-CGIKZILCSA-N |
| Molecular Weight |
394.517 g/mol |
| SMILES |
[C@]12(c3c(C[C@](c4c2cccc4)(c2c1cccc2)[H])cc1c(c3)cccc1)c1ccccc1 |
| SPLASH |
splash10-0006-0009000000-ea86752ff4f554c46933 |
| Source of Spectrum |
H1-48-1774-8 |
| Wiley ID |
816503 |
![13-Phenylhexacyclo[11.6.6.0(14,19).0(20,25)]pentaeicosane-3,5(10),6,8,11,14(19),15,17,19,20(25),21,23-dodecaene](/api/spectrum/CvA7DGumhmr/structure.png?h=300&w=458 "13-Phenylhexacyclo[11.6.6.0(14,19).0(20,25)]pentaeicosane-3,5(10),6,8,11,14(19),15,17,19,20(25),21,23-dodecaene")
