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2-Pentenoic acid, 2-methyl-4-[[(4-methylphenyl)sulfonyl](phenylmethyl)amino]-5-phenyl-, ethyl ester, [S-(E)]-
SpectraBase Compound ID CeX5oTe8HiS
InChI InChI=1S/C28H31NO4S/c1-4-33-28(30)23(3)19-26(20-24-11-7-5-8-12-24)29(21-25-13-9-6-10-14-25)34(31,32)27-17-15-22(2)16-18-27/h5-19,26H,4,20-21H2,1-3H3/b23-19+/t26-/m1/s1
InChIKey VVDMOPMTTCDKTF-AITIGTCKSA-N
Mol Weight 477.62 g/mol
Molecular Formula C28H31NO4S
Exact Mass 477.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lhz71NQE3V7
Name 2-Pentenoic acid, 2-methyl-4-[[(4-methylphenyl)sulfonyl](phenylmethyl)amino]-5-phenyl-, ethyl ester, [S-(E)]-
Alternate Name(s) ethyl (2E,4S)-4-{benzyl[(4-methylphenyl)sulfonyl]amino}-2-methyl-5-phenyl-2-pentenoate Ethyl (4S)-(E)-4-(N-benzyl-p-toluenesulfonamido)-2-methyl-5-phenylpent-2-enoate
CAS Registry Number 74974-73-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31NO4S
InChI InChI=1S/C28H31NO4S/c1-4-33-28(30)23(3)19-26(20-24-11-7-5-8-12-24)29(21-25-13-9-6-10-14-25)34(31,32)27-17-15-22(2)16-18-27/h5-19,26H,4,20-21H2,1-3H3/b23-19+/t26-/m1/s1
InChIKey VVDMOPMTTCDKTF-AITIGTCKSA-N
Molecular Weight 477.619 g/mol
SMILES [C@](N(S(c1ccc(cc1)C)(=O)=O)Cc1ccccc1)(\C=C\(C(=O)OCC)C)(Cc1ccccc1)[H]
SPLASH splash10-000i-0009000000-f601c62b5a91b1f4f639
Source of Spectrum C-104-5725-0
Wiley ID 1394569