![N-[2-(1-adamantyl)-1-(4-methoxyphenyl)ethyl]-3-chloro-aniline](/api/spectrum/8arummMAEjO/structure.png?h=300&w=458 "N-[2-(1-adamantyl)-1-(4-methoxyphenyl)ethyl]-3-chloro-aniline")
| SpectraBase Compound ID | 982hbRBi3TB |
|---|---|
| InChI | InChI=1S/C25H30ClNO/c1-28-23-7-5-20(6-8-23)24(27-22-4-2-3-21(26)12-22)16-25-13-17-9-18(14-25)11-19(10-17)15-25/h2-8,12,17-19,24,27H,9-11,13-16H2,1H3/t17-,18+,19-,24?,25- |
| InChIKey | OHWBPJFGMUWFGV-JVJZBDDDSA-N |
| Mol Weight | 395.97 g/mol |
| Molecular Formula | C25H30ClNO |
| Exact Mass | 395.201592 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8arummMAEjO |
|---|---|
| Name | N-[2-(1-adamantyl)-1-(4-methoxyphenyl)ethyl]-3-chloro-aniline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H30ClNO |
| InChI | InChI=1S/C25H30ClNO/c1-28-23-7-5-20(6-8-23)24(27-22-4-2-3-21(26)12-22)16-25-13-17-9-18(14-25)11-19(10-17)15-25/h2-8,12,17-19,24,27H,9-11,13-16H2,1H3/t17-,18+,19-,24?,25- |
| InChIKey | OHWBPJFGMUWFGV-JVJZBDDDSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 395.974 g/mol |
| Reported Formula | C25H31ClNO |
| SMILES | N(C(CC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])c1ccc(cc1)OC)c1cc(ccc1)Cl |
| SPLASH | splash10-000i-0930000000-88b718b776c3b47f9e84 |
| Source of Spectrum | CN108707081A |
| Wiley ID | 1872493 |