| SpectraBase Spectrum ID |
CdVeDAENgY9 |
| Name |
3-{[(3,4-dimethoxyphenyl)methyl]amino}adamantan-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.199093730 u |
| Formula |
C19H27NO3 |
| InChI |
InChI=1S/C19H27NO3/c1-22-16-4-3-13(6-17(16)23-2)11-20-18-7-14-5-15(8-18)10-19(21,9-14)12-18/h3-4,6,14-15,20-21H,5,7-12H2,1-2H3/t14-,15+,18+,19- |
| InChIKey |
ZNNXFAXFDPBFSV-DJDHSFSDSA-N |
| Molecular Weight |
317.429 g/mol |
| SMILES |
[C@]12(C[C@@]3(C[C@](C2)(C[C@](C1)(C3)[H])[H])O)NCC=1C=C(C(OC)=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939776 |
![3-{[(3,4-dimethoxyphenyl)methyl]amino}adamantan-1-ol](/api/spectrum/CdVeDAENgY9/structure.png?h=300&w=458 "3-{[(3,4-dimethoxyphenyl)methyl]amino}adamantan-1-ol")
