| SpectraBase Compound ID | KnqWzx72bDb |
|---|---|
| InChI | InChI=1S/C72H44Cl2/c73-71-69-65-61-53-41-25-9-1-17-33(41)49(34-18-2-10-26-42(34)53)57(61)58-50-35-19-3-11-27-43(35)54(44-28-12-4-20-36(44)50)62(58)66(65)70(72(71)74)68-64-56-47-31-15-7-23-39(47)52(40-24-8-16-32-48(40)56)60(64)59-51-37-21-5-13-29-45(37)55(63(59)67(68)69)46-30-14-6-22-38(46)51/h1-32,49-56,69-72H/t49-,50-,51-,52-,53-,54+,55+,56+,69-,70+,71+,72-/m0/s1 |
| InChIKey | AUSQNRJSDDXVFP-WFZVRDBESA-N |
| Mol Weight | 980.0 g/mol |
| Molecular Formula | C72H44Cl2 |
| Exact Mass | 978.282007 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LRSTO3YIGHQ |
|---|---|
| Name | 1,2:3,4:5,6:7,8-Tetrakis(1,4-o-benzenotetrahydronaphthaleno)-9,10-(1,2-dichloroethano)dihydroanthracene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C72H44Cl2 |
| InChI | InChI=1S/C72H44Cl2/c73-71-69-65-61-53-41-25-9-1-17-33(41)49(34-18-2-10-26-42(34)53)57(61)58-50-35-19-3-11-27-43(35)54(44-28-12-4-20-36(44)50)62(58)66(65)70(72(71)74)68-64-56-47-31-15-7-23-39(47)52(40-24-8-16-32-48(40)56)60(64)59-51-37-21-5-13-29-45(37)55(63(59)67(68)69)46-30-14-6-22-38(46)51/h1-32,49-56,69-72H/t49-,50-,51-,52-,53-,54+,55+,56+,69-,70+,71+,72-/m0/s1 |
| InChIKey | AUSQNRJSDDXVFP-WFZVRDBESA-N |
| Molecular Weight | 980.050 g/mol |
| SMILES | c12c(c3C4c5c6c(C7c8c(C6c6c7cccc6)cccc8)c6c(c5C(c3c3c2C2c5c(cccc5)C3c3c2cccc3)C(Cl)C4Cl)C2c3c(cccc3)C6c3c2cccc3)C2c3c(C1c1c2cccc1)cccc3 |
| SPLASH | splash10-001r-0080000059-d5b15b36b925e3bedb4d |
| Source of Spectrum | J-56-6911-22 |
| Synonyms | 59,60-dichloroicosacyclo[38.6.6.6(7,14).6(17,24).6(30,37).2(4,27).0(2,39).0(3,28).0(5,26).0(6,15).0(8,13).0(16,25).0(18,23).0(29,38).0(31,36).0(41,46).0(47,52).0(53,58).0(61,66).0(67,72)]doheptaconta-2(39),3(28),5(26),6(15),8,10,12,16(25),18,20,22,29(38),31,33,35,41(46),42,44,47,49,51,53(58),54,56,61,63,65,67,69,71-triacontaene |
| Wiley ID | 1418333 |