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BOC-(E)-.delta.Ala(.beta.-{2-[4-(benzo[b]thien-3-yl)phenyl]ethynyl})-OMe
SpectraBase Compound ID 7xWMKh8buj8
InChI InChI=1S/C25H23NO4S/c1-25(2,3)30-24(28)26-21(23(27)29-4)10-7-8-17-12-14-18(15-13-17)20-16-31-22-11-6-5-9-19(20)22/h5-6,9-16H,1-4H3,(H,26,28)/b21-10+
InChIKey APNZCWUMYPOUPE-UFFVCSGVSA-N
Mol Weight 433.52 g/mol
Molecular Formula C25H23NO4S
Exact Mass 433.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VodmGYrjXO
Name BOC-(E)-.delta.Ala(.beta.-{2-[4-(benzo[b]thien-3-yl)phenyl]ethynyl})-OMe
Alternate Name(s) (E)-5-[4-(1-benzothiophen-3-yl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pent-2-en-4-ynoic acid methyl ester Methyl (E)-5-[4-(benzothiophen-3-yl)phenyl]-2-(tert-butoxycarbonylamino)pent-2-en-4-ynoate Methyl (E)-5-[4-(1-benzothiophen-3-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-en-4-ynoate
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Formula C25H23NO4S
InChI InChI=1S/C25H23NO4S/c1-25(2,3)30-24(28)26-21(23(27)29-4)10-7-8-17-12-14-18(15-13-17)20-16-31-22-11-6-5-9-19(20)22/h5-6,9-16H,1-4H3,(H,26,28)/b21-10+
InChIKey APNZCWUMYPOUPE-UFFVCSGVSA-N
Molecular Weight 433.522 g/mol
SMILES N(C(OC(C)(C)C)=O)\C(=C\C#Cc1ccc(-c2csc3c2cccc3)cc1)C(=O)OC
SPLASH splash10-001i-0049200000-207d100637e6b41533e8
Source of Spectrum K1-2004-3990-3
Wiley ID 1561537