| SpectraBase Spectrum ID |
3MJ4n1yUOy8 |
| Name |
1-(Biphenyl-2-yloxy)-3-tert-butylamino-propan-2-ol, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.199093730 u |
| Formula |
C21H27NO3 |
| InChI |
InChI=1S/C21H27NO3/c1-16(23)25-18(14-22-21(2,3)4)15-24-20-13-9-8-12-19(20)17-10-6-5-7-11-17/h5-13,18,22H,14-15H2,1-4H3 |
| InChIKey |
PJGXQZUUTDZVRX-UHFFFAOYSA-N |
| Molecular Weight |
341.451 g/mol |
| SMILES |
C(OC1=C(C=CC=C1)C1=CC=CC=C1)C(CNC(C)(C)C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963833 |
