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1-Azetidineacetic acid, 2-(butylthio)-.alpha.-(1-methoxy-3-oxopropylidene)-4-oxo-, phenylmethyl ester, (E)-
SpectraBase Compound ID FlZDabHLymK
InChI InChI=1S/C20H25NO5S/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/h5-9,11,18H,3-4,10,12-14H2,1-2H3/b19-16+
InChIKey JNDQRPMHLAPTNF-KNTRCKAVSA-N
Mol Weight 391.48 g/mol
Molecular Formula C20H25NO5S
Exact Mass 391.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8CAh8dEHdG
Name 1-Azetidineacetic acid, 2-(butylthio)-.alpha.-(1-methoxy-3-oxopropylidene)-4-oxo-, phenylmethyl ester, (E)-
Alternate Name(s) benzyl (2E)-2-[2-(butylsulfanyl)-4-oxo-1-azetidinyl]-3-methoxy-5-oxo-2-pentenoate Benzyl 2-(4-butylthio-2-oxoazetidin-1-yl)-3-methoxy-5-oxopent-3-enoate
CAS Registry Number 85784-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO5S
InChI InChI=1S/C20H25NO5S/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/h5-9,11,18H,3-4,10,12-14H2,1-2H3/b19-16+
InChIKey JNDQRPMHLAPTNF-KNTRCKAVSA-N
Molecular Weight 391.482 g/mol
SMILES C(\C(N1C(=O)CC1SCCCC)=C\(CC=O)OC)(OCc1ccccc1)=O
SPLASH splash10-0006-9300000000-e37745bdbb5886a6309d
Source of Spectrum KC-1983-118-0
Wiley ID 1365325