| SpectraBase Spectrum ID |
FbPKdscFuTx |
| Name |
1,3,4,6,11,13,14,15-Octadeuterio-2,5,12,15-tetra-tert-butylquterrylene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C56H44D8 |
| InChI |
InChI=1S/C56H52/c1-53(2,3)31-21-29-22-32(54(4,5)6)26-44-40-18-14-36-38-16-20-42-46-28-34(56(10,11)12)24-30-23-33(55(7,8)9)27-45(48(30)46)41-19-15-37(50(38)52(41)42)35-13-17-39(51(40)49(35)36)43(25-31)47(29)44/h13-28H,1-12H3/i21D,22D,23D,24D,25D,26D,27D,28D |
| InChIKey |
YGVMFYBWPDIEHN-ROKZGSKTSA-N |
| Molecular Weight |
733.081 g/mol |
| SMILES |
c12c3c(c4ccc5c6c4c(c3c(c(c1[D])C(C)(C)C)[D])ccc6c1ccc3c4c(c(C(C)(C)C)c(c6c4c(c4ccc5c1c34)c(c(c6[D])C(C)(C)C)[D])[D])[D])c(c(c2[D])C(C)(C)C)[D] |
| SPLASH |
splash10-003r-0000000900-2c577228b850487ab173 |
| Source of Spectrum |
C-116-7348-5 |
| Wiley ID |
1415765 |
