| SpectraBase Spectrum ID |
6M2Ekx0HQBW |
| Name |
7,7',9,9',10,10',12,12'-Octadeuterio-8,8'-11,11'-tert-butyl-3,3'-biperylene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C56H46D8 |
| InChI |
InChI=1S/C56H54/c1-53(2,3)33-23-31-25-35(55(7,8)9)29-47-43-21-19-37(39-15-13-17-41(51(39)43)45(27-33)49(31)47)38-20-22-44-48-30-36(56(10,11)12)26-32-24-34(54(4,5)6)28-46(50(32)48)42-18-14-16-40(38)52(42)44/h13-30H,1-12H3/i23D,24D,25D,26D,27D,28D,29D,30D |
| InChIKey |
AZQZJQFIJIPXCY-YWSGCUSSSA-N |
| Molecular Weight |
735.097 g/mol |
| SMILES |
c12c3c(c4ccc(c5c4c(c3c(c(c1[D])C(C)(C)C)[D])ccc5)-c1c3c4c(c5c(c(C(C)(C)C)c(c6c5c(c4cc1)c(c(c6[D])C(C)(C)C)[D])[D])[D])ccc3)c(c(c2[D])C(C)(C)C)[D] |
| SPLASH |
splash10-001i-0002000900-d3c3d0d239a955a659b6 |
| Source of Spectrum |
C-116-7348-7 |
| Wiley ID |
1415830 |
