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trans-1-(4-Methoxyphenyl)-3-phthalimido-4-(n-propyl)-4-methylthio-azetidin-2-one
SpectraBase Compound ID As2c9xVq9xu
InChI InChI=1S/C22H22N2O4S/c1-4-13-22(29-3)18(21(27)24(22)14-9-11-15(28-2)12-10-14)23-19(25)16-7-5-6-8-17(16)20(23)26/h5-12,18H,4,13H2,1-3H3/t18-,22+/m0/s1
InChIKey CRWOKHJFNXZUMP-PGRDOPGGSA-N
Mol Weight 410.49 g/mol
Molecular Formula C22H22N2O4S
Exact Mass 410.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGxf1mTALls
Name trans-1-(4-Methoxyphenyl)-3-phthalimido-4-(n-propyl)-4-methylthio-azetidin-2-one
Alternate Name(s) 2-[(2R,3S)-1-(4-methoxyphenyl)-2-(methylsulfanyl)-4-oxo-2-propylazetidinyl]-1H-isoindole-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O4S
InChI InChI=1S/C22H22N2O4S/c1-4-13-22(29-3)18(21(27)24(22)14-9-11-15(28-2)12-10-14)23-19(25)16-7-5-6-8-17(16)20(23)26/h5-12,18H,4,13H2,1-3H3/t18-,22+/m0/s1
InChIKey CRWOKHJFNXZUMP-PGRDOPGGSA-N
Molecular Weight 410.488 g/mol
SMILES [C@]1(N2C(c3ccccc3C2=O)=O)([C@](SC)(CCC)N(C1=O)c1ccc(cc1)OC)[H]
SPLASH splash10-03di-0972300000-a01e0fb8fd8384deca9a
Source of Spectrum F-47-6765-5
Wiley ID 1373608