| SpectraBase Spectrum ID |
EIj2fk5eo2o |
| Name |
(R)-N-(Tert-butoxycarbonyl)-4-[(1-amino)ethyl]-2,2,2-trifluoroacetaphenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.123877930 u |
| Formula |
C15H18F3NO3 |
| InChI |
InChI=1S/C15H18F3NO3/c1-9(19-13(21)22-14(2,3)4)10-5-7-11(8-6-10)12(20)15(16,17)18/h5-9H,1-4H3,(H,19,21)/t9-/m1/s1 |
| InChIKey |
IAAZDMFFIQEIQK-SECBINFHSA-N |
| Molecular Weight |
317.308 g/mol |
| SMILES |
C(C(C=1C=CC([C@](NC(OC(C)(C)C)=O)(C)[H])=CC1)=O)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82155 |
![(R)-N-(Tert-butoxycarbonyl)-4-[(1-amino)ethyl]-2,2,2-trifluoroacetaphenone](/api/spectrum/EIj2fk5eo2o/structure.png?h=300&w=458 "(R)-N-(Tert-butoxycarbonyl)-4-[(1-amino)ethyl]-2,2,2-trifluoroacetaphenone")
