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N-Benzyl-N-[1-(4-methylphenyl)butan-1-one-2-yl]carbamic acid TMS

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-Benzyl-N-[1-(4-methylphenyl)butan-1-one-2-yl]carbamic acid TMS
SpectraBase Compound ID 8QXdnCTgSfV
InChI InChI=1S/C22H29NO3Si/c1-6-20(21(24)19-14-12-17(2)13-15-19)23(22(25)26-27(3,4)5)16-18-10-8-7-9-11-18/h7-15,20H,6,16H2,1-5H3
InChIKey ISEWFSQBUXPKID-UHFFFAOYSA-N
Mol Weight 383.56 g/mol
Molecular Formula C22H29NO3Si
Exact Mass 383.19167 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7eVfxE6yA41
Name N-Benzyl-N-[1-(4-methylphenyl)butan-1-one-2-yl]carbaminic acid tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.191670330 u
Formula C22H29NO3Si
InChI InChI=1S/C22H29NO3Si/c1-6-20(21(24)19-14-12-17(2)13-15-19)23(22(25)26-27(3,4)5)16-18-10-8-7-9-11-18/h7-15,20H,6,16H2,1-5H3
InChIKey ISEWFSQBUXPKID-UHFFFAOYSA-N
Molecular Weight 383.563 g/mol
SMILES C(N(C(O[Si](C)(C)C)=O)CC=1C=CC=CC1)(C(C1=CC=C(C=C1)C)=O)CC