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2-Benzamido-2-[1-[4-(tert-butoxycarbonylamino)phenyl]but-3-ynyl]malonic acid diethyl ester
SpectraBase Compound ID LmvG06yf41H
InChI InChI=1S/C29H34N2O7/c1-7-13-23(20-16-18-22(19-17-20)30-27(35)38-28(4,5)6)29(25(33)36-8-2,26(34)37-9-3)31-24(32)21-14-11-10-12-15-21/h1,10-12,14-19,23H,8-9,13H2,2-6H3,(H,30,35)(H,31,32)
InChIKey GFNCLMSTSKJIGV-UHFFFAOYSA-N
Mol Weight 522.6 g/mol
Molecular Formula C29H34N2O7
Exact Mass 522.236601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQ48s9l570x
Name 2-Benzamido-2-[1-[4-(tert-butoxycarbonylamino)phenyl]but-3-ynyl]malonic acid diethyl ester
Alternate Name(s) 2-Benzamido-2-[1-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]but-3-ynyl]propanedioic acid diethyl ester Diethyl 2-benzamido-2-[1-[4-(tert-butoxycarbonylamino)phenyl]but-3-ynyl]propanedioate Diethyl 2-benzamido-2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]but-3-ynyl]propanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H34N2O7
InChI InChI=1S/C29H34N2O7/c1-7-13-23(20-16-18-22(19-17-20)30-27(35)38-28(4,5)6)29(25(33)36-8-2,26(34)37-9-3)31-24(32)21-14-11-10-12-15-21/h1,10-12,14-19,23H,8-9,13H2,2-6H3,(H,30,35)(H,31,32)
InChIKey GFNCLMSTSKJIGV-UHFFFAOYSA-N
Molecular Weight 522.598 g/mol
SMILES N(C(C(c1ccc(NC(OC(C)(C)C)=O)cc1)CC#C)(C(=O)OCC)C(=O)OCC)C(=O)c1ccccc1
SPLASH splash10-0a4u-3910000000-dfb51415d15400418fe5
Source of Spectrum E1-35-4304-12
Wiley ID 1574584