naphthaleneophane](/api/spectrum/dJwEYvX0iq/structure.png?h=300&w=458 "43,44,45,46-Tetramethoxy[2.1.2.1](1,3)naphthaleneophane")
| SpectraBase Compound ID | D9ijMssoltB |
|---|---|
| InChI | InChI=1S/C50H44O4/c1-51-47-35-21-23-43-39-17-9-6-16-34(39)28-38(50(43)54-4)30-46-42-20-12-8-14-32(42)26-36(48(46)52-2)22-24-44-40-18-10-5-15-33(40)27-37(49(44)53-3)29-45(47)41-19-11-7-13-31(41)25-35/h5-20,25-28H,21-24,29-30H2,1-4H3 |
| InChIKey | ZEJOAIPDOXLHBG-UHFFFAOYSA-N |
| Mol Weight | 708.9 g/mol |
| Molecular Formula | C50H44O4 |
| Exact Mass | 708.32396 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | dJwEYvX0iq |
|---|---|
| Name | 43,44,45,46-Tetramethoxy[2.1.2.1](1,3)naphthaleneophane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H44O4 |
| InChI | InChI=1S/C50H44O4/c1-51-47-35-21-23-43-39-17-9-6-16-34(39)28-38(50(43)54-4)30-46-42-20-12-8-14-32(42)26-36(48(46)52-2)22-24-44-40-18-10-5-15-33(40)27-37(49(44)53-3)29-45(47)41-19-11-7-13-31(41)25-35/h5-20,25-28H,21-24,29-30H2,1-4H3 |
| InChIKey | ZEJOAIPDOXLHBG-UHFFFAOYSA-N |
| Molecular Weight | 708.898 g/mol |
| SMILES | c12Cc3c(c(CCc4c(OC)c(Cc5c(c(CCc(c2OC)cc2c1cccc2)c1c(c5)cccc1)OC)c1ccccc1c4)c1c(c3)cccc1)OC |
| SPLASH | splash10-0a4i-0103000900-3ef1300cb934de1da2ad |
| Source of Spectrum | J-61-3868-5 |
| Synonyms | 43,44,45,46-tetramethoxynonacyclo[33.7.1.1(3,11).1(14,22).1(24,32).0(4,9).0(15,20).0(25,30).0(36,41)]hexatetraconta-1(43),3,5,7,9,11(46),14,16,18,20,22(45),24,25,27,29,31,35,37,39,41-icosaene |
| Wiley ID | 1415307 |