SpectraBase Spectrum ID |
79OpDjjSR2U |
Name |
(S)-Tert-butyl N-(2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl)carbamate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
391.159514547 u |
Formula |
C21H23F2NO4 |
InChI |
InChI=1S/C21H23F2NO4/c1-20(2,3)28-19(26)24-17(14-8-6-5-7-9-14)21(22,23)18(25)15-10-12-16(27-4)13-11-15/h5-13,17H,1-4H3,(H,24,26)/t17-/m0/s1 |
InChIKey |
XOODCTYTMJKCCR-KRWDZBQOSA-N |
Molecular Weight |
391.415 g/mol |
SMILES |
C(F)([C@](C1=CC=CC=C1)(NC(=O)OC(C)(C)C)[H])(C(C=1C=CC(=CC1)OC)=O)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830622 |