| SpectraBase Spectrum ID |
F0KMGeGhPcg |
| Name |
4-[1-Adamantyl]-2-[4-chlorophenyl]-6-dimethylaminomethyl phenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.201592289 u |
| Formula |
C25H30ClNO |
| InChI |
InChI=1S/C25H30ClNO/c1-27(2)15-20-10-21(11-23(24(20)28)19-3-5-22(26)6-4-19)25-12-16-7-17(13-25)9-18(8-16)14-25/h3-6,10-11,16-18,28H,7-9,12-15H2,1-2H3/t16-,17+,18-,25- |
| InChIKey |
SXBCGFGZQBABSL-BLEMRMKPSA-N |
| Molecular Weight |
395.974 g/mol |
| SMILES |
C1=C(C(=C(C=C1C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])CN(C)C)O)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852592 |
![4-[1-Adamantyl]-2-[4-chlorophenyl]-6-dimethylaminomethyl phenol](/api/spectrum/F0KMGeGhPcg/structure.png?h=300&w=458 "4-[1-Adamantyl]-2-[4-chlorophenyl]-6-dimethylaminomethyl phenol")
