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DL-Homocysteine, N-acetyl-S-phenyl-, 2,4,6-tris(1,1-dimethylethyl)phenyl ester

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DL-Homocysteine, N-acetyl-S-phenyl-, 2,4,6-tris(1,1-dimethylethyl)phenyl ester
SpectraBase Compound ID 5JJZph0Swxl
InChI InChI=1S/C30H43NO3S/c1-20(32)31-25(16-17-35-22-14-12-11-13-15-22)27(33)34-26-23(29(5,6)7)18-21(28(2,3)4)19-24(26)30(8,9)10/h11-15,18-19,25H,16-17H2,1-10H3,(H,31,32)
InChIKey AXAMBTKHFYFKDZ-UHFFFAOYSA-N
Mol Weight 497.7 g/mol
Molecular Formula C30H43NO3S
Exact Mass 497.296365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LF2L74mTpfF
Name DL-Homocysteine, N-acetyl-S-phenyl-, 2,4,6-tris(1,1-dimethylethyl)phenyl ester
Alternate Name(s) 2,4,6-tritert-butylphenyl 2-(acetylamino)-4-(phenylsulfanyl)butanoate [2,4,6-tris(1,1-dimethylethyl)phenyl]-2-acetamido-4-(phenylthio)butanoate
CAS Registry Number 113719-20-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H43NO3S
InChI InChI=1S/C30H43NO3S/c1-20(32)31-25(16-17-35-22-14-12-11-13-15-22)27(33)34-26-23(29(5,6)7)18-21(28(2,3)4)19-24(26)30(8,9)10/h11-15,18-19,25H,16-17H2,1-10H3,(H,31,32)
InChIKey AXAMBTKHFYFKDZ-UHFFFAOYSA-N
Molecular Weight 497.738 g/mol
SMILES N(C(C(Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)=O)CCSc1ccccc1)C(=O)C
SPLASH splash10-01ot-0590000000-257bbfca420993d07663
Source of Spectrum H-70-1514-22
Wiley ID 1398432