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(S)-Tert-butyl N-(2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl)carbamate
SpectraBase Compound ID BLXIbET68ZH
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
Mol Weight 391.41 g/mol
Molecular Formula C21H23F2NO4
Exact Mass 391.159515 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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