| SpectraBase Spectrum ID |
EjrYyH0BrND |
| Name |
2-(Adamantlacatamido)-3-benzyl-5-(4-hydroxyphenyl)pyrazine |
| Alternate Name(s) |
2-(1-adamantyl)-N-[3-benzyl-5-(4-hydroxyphenyl)-2-pyrazinyl]acetamide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H31N3O2 |
| InChI |
InChI=1S/C29H31N3O2/c33-24-8-6-23(7-9-24)26-18-30-28(25(31-26)13-19-4-2-1-3-5-19)32-27(34)17-29-14-20-10-21(15-29)12-22(11-20)16-29/h1-9,18,20-22,33H,10-17H2,(H,30,32,34)/t20-,21+,22-,29- |
| InChIKey |
VHBAJIACSIUOHX-OSEPQLNNSA-N |
| Molecular Weight |
453.586 g/mol |
| SMILES |
N(c1c(nc(-c2ccc(cc2)O)cn1)Cc1ccccc1)C(CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O |
| SPLASH |
splash10-0fb9-0090700000-a102b6dd4b7b0a2409ba |
| Source of Spectrum |
F-53-12915-5 |
| Wiley ID |
803789 |
