| SpectraBase Compound ID | 7MjbTf5V9eq |
|---|---|
| InChI | InChI=1S/C66H56/c1-63(2,3)35-27-33-15-13-17-37-39-19-21-43-41-23-26-46-56-42(24-25-45(55(41)56)59-51(65(7,8)9)31-49(57(39)61(43)59)47(29-35)53(33)37)44-22-20-40-38-18-14-16-34-28-36(64(4,5)6)30-48(54(34)38)50-32-52(66(10,11)12)60(46)62(44)58(40)50/h13-32H,1-12H3 |
| InChIKey | NAHXPVOYMMDKMH-UHFFFAOYSA-N |
| Mol Weight | 849.2 g/mol |
| Molecular Formula | C66H56 |
| Exact Mass | 848.438202 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IyZZC8YM5gy |
|---|---|
| Name | 2,5,14,17-tetra(t-butyl)pentarylene |
| Alternate Name(s) | 12,17,33,38-tetra-tert-butyltetradecacyclo[20.20.2.2(2,5).2(23,26).1(6,10).1(27,31).0(3,18).0(4,15).0(19,43).0(40,44).0(14,48).0(35,45).0(36,46).0(39,47)]pentaconta-1(43),2,4,6(48),7,9,11,13,15,17,19,21,23,25,27,29,31,33,35(45),36(46),37,39(47),40(44),41,49-pentacosaene |
| CAS Registry Number | 133816-33-8 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C66H56 |
| InChI | InChI=1S/C66H56/c1-63(2,3)35-27-33-15-13-17-37-39-19-21-43-41-23-26-46-56-42(24-25-45(55(41)56)59-51(65(7,8)9)31-49(57(39)61(43)59)47(29-35)53(33)37)44-22-20-40-38-18-14-16-34-28-36(64(4,5)6)30-48(54(34)38)50-32-52(66(10,11)12)60(46)62(44)58(40)50/h13-32H,1-12H3 |
| InChIKey | NAHXPVOYMMDKMH-UHFFFAOYSA-N |
| Molecular Weight | 849.174 g/mol |
| SMILES | c12c3c4c(c5cccc6c5c(c4cc1C(C)(C)C)cc(c6)C(C)(C)C)ccc3c1c3c2ccc2c4c5c6c(c7cc(C(C)(C)C)cc8c7c(c6cc4)ccc8)cc(c5c(c32)cc1)C(C)(C)C |
| SPLASH | splash10-052b-5000000090-7937f79ae9668f596de3 |
| Source of Spectrum | K-124-2099-5 |
| Wiley ID | 1417687 |