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1-Azetidineacetic acid, 2-(butylthio)-.alpha.-(3-hydroxy-1-methoxypropylidene)-4-oxo-, phenylmethyl ester, (E)-
SpectraBase Compound ID LuuFAG8TqzR
InChI InChI=1S/C20H27NO5S/c1-3-4-12-27-18-13-17(23)21(18)19(16(25-2)10-11-22)20(24)26-14-15-8-6-5-7-9-15/h5-9,18,22H,3-4,10-14H2,1-2H3/b19-16+
InChIKey RIXPDVWDSSARML-KNTRCKAVSA-N
Mol Weight 393.5 g/mol
Molecular Formula C20H27NO5S
Exact Mass 393.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1UpW2wglMJO
Name 1-Azetidineacetic acid, 2-(butylthio)-.alpha.-(3-hydroxy-1-methoxypropylidene)-4-oxo-, phenylmethyl ester, (E)-
Alternate Name(s) benzyl (2E)-2-[2-(butylsulfanyl)-4-oxo-1-azetidinyl]-5-hydroxy-3-methoxy-2-pentenoate Benzyl (E)-2-(4-butylthio-2-oxoazetidin-1-yl)-5-hydroxy-3-methoxypent-2-enoate
CAS Registry Number 85784-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO5S
InChI InChI=1S/C20H27NO5S/c1-3-4-12-27-18-13-17(23)21(18)19(16(25-2)10-11-22)20(24)26-14-15-8-6-5-7-9-15/h5-9,18,22H,3-4,10-14H2,1-2H3/b19-16+
InChIKey RIXPDVWDSSARML-KNTRCKAVSA-N
Molecular Weight 393.498 g/mol
SMILES OCC\C(=C\(N1C(=O)CC1SCCCC)C(OCc1ccccc1)=O)OC
SPLASH splash10-0006-9230000000-4901055885d529a51191
Source of Spectrum KC-1983-118-0
Wiley ID 1366237