| SpectraBase Spectrum ID |
5dvRpSSkSyu |
| Name |
3-[(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)amino]adamantan-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.183443666 u |
| Formula |
C19H25NO3 |
| InChI |
InChI=1S/C19H25NO3/c21-19-9-14-5-15(10-19)8-18(7-14,12-19)20-11-13-1-2-16-17(6-13)23-4-3-22-16/h1-2,6,14-15,20-21H,3-5,7-12H2/t14-,15+,18+,19- |
| InChIKey |
SESUXNFRMIPYAU-DJDHSFSDSA-N |
| SMILES |
[C@]12(C[C@@]3(C[C@](C2)(C[C@](C1)(C3)[H])[H])O)NCC=1C=C2C(OCCO2)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946091 |
![3-[(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)amino]adamantan-1-ol](/api/spectrum/5dvRpSSkSyu/structure.png?h=300&w=458 "3-[(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)amino]adamantan-1-ol")
