![Trimer[[6]-(1,4)-naphthalenophane] isomer](/api/spectrum/JBZWtJ7PRPI/structure.png?h=300&w=458 "Trimer[[6]-(1,4)-naphthalenophane] isomer")
| SpectraBase Compound ID | 729rWG0G1J1 |
|---|---|
| InChI | InChI=1S/C48H54/c1-2-8-20-38-33-34-40(46-28-16-15-26-44(38)46)22-10-5-6-12-24-42-36-35-41(47-29-17-18-30-48(42)47)23-11-4-3-9-21-39-32-31-37(19-7-1)43-25-13-14-27-45(39)43/h13-18,25-36H,1-12,19-24H2 |
| InChIKey | XCOHZEJLTGYTSW-UHFFFAOYSA-N |
| Mol Weight | 631.0 g/mol |
| Molecular Formula | C48H54 |
| Exact Mass | 630.422552 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JBZWtJ7PRPI |
|---|---|
| Name | Trimer[[6]-(1,4)-naphthalenophane] isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H54 |
| InChI | InChI=1S/C48H54/c1-2-8-20-38-33-34-40(46-28-16-15-26-44(38)46)22-10-5-6-12-24-42-36-35-41(47-29-17-18-30-48(42)47)23-11-4-3-9-21-39-32-31-37(19-7-1)43-25-13-14-27-45(39)43/h13-18,25-36H,1-12,19-24H2 |
| InChIKey | XCOHZEJLTGYTSW-UHFFFAOYSA-N |
| Molecular Weight | 630.960 g/mol |
| SMILES | c12c(c3CCCCCCc4c5c(cccc5)c(cc4)CCCCCCc4ccc(c5c4cccc5)CCCCCCc2cc3)cccc1 |
| SPLASH | splash10-001i-0430409000-dd6881beed463ca10acb |
| Source of Spectrum | C-114-3489-13 |
| Synonyms | Trimer[[6]-(1,4)-naphthalenophane] Heptacyclo[34.6.2.2(8,15).2(22,29).0(9,14).0(23,28).0(37,42)]octatetraconta-1(43),8,10,12,14,22(46),23,25,27,29(45),36,37,39,41,47-pentadecaene Trimer[[6]-(1,4)-naphthalenophane]isomer |
| Wiley ID | 1412137 |