![anti-Acenaphtheno[1,2-a]-9-methylsulfanyl[2.3]metacyclophan-1-ene](/api/spectrum/ASBgQSqFgC0/structure.png?h=300&w=458 "anti-Acenaphtheno[1,2-a]-9-methylsulfanyl[2.3]metacyclophan-1-ene")
| SpectraBase Compound ID | AstulXk3BHc |
|---|---|
| InChI | InChI=1S/C27H20S/c1-28-24-15-17-6-2-10-20(14-17)26-22-12-4-7-18-8-5-13-23(25(18)22)27(26)21-11-3-9-19(24)16-21/h2-14,16,24H,15H2,1H3 |
| InChIKey | WONDXYSPCIXEKQ-UHFFFAOYSA-N |
| Mol Weight | 376.52 g/mol |
| Molecular Formula | C27H20S |
| Exact Mass | 376.128572 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ASBgQSqFgC0 |
|---|---|
| Name | anti-Acenaphtheno[1,2-a]-9-methylsulfanyl[2.3]metacyclophan-1-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H20S |
| InChI | InChI=1S/C27H20S/c1-28-24-15-17-6-2-10-20(14-17)26-22-12-4-7-18-8-5-13-23(25(18)22)27(26)21-11-3-9-19(24)16-21/h2-14,16,24H,15H2,1H3 |
| InChIKey | WONDXYSPCIXEKQ-UHFFFAOYSA-N |
| Molecular Weight | 376.517 g/mol |
| SMILES | C12=C(c3cccc4c3c2ccc4)c2cc(CC(c3cc1ccc3)SC)ccc2 |
| SPLASH | splash10-004i-0109000000-40f6547f72b95f5fed14 |
| Source of Spectrum | KC-0-1659-20 |
| Synonyms | 9-(methylsulfanyl)hexacyclo[14.7.1.1(3,7).1(10,14).0(2,15).0(20,24)]hexacosa-1(24),2(15),3(26),4,6,10(25),11,13,16,18,20,22-dodecaene Hexacyclo[14.7.1.1(3,7).1(10,14).0(2,15).0(20,24)]hexacosa-1(23),2(15),3(26),4,6,10(25),11,13,16(24),17,19,21-dodecaen-8-yl methyl sulfide |
| Wiley ID | 822102 |