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cis-2-oxo-4-(phenacylthio)-3-(2-phenylacetamido)-1-azetidineacetic acid, methyl ester
SpectraBase Compound ID 9vyHWJlfJoJ
InChI InChI=1S/C22H22N2O5S/c1-29-19(27)13-24-21(28)20(23-18(26)12-15-8-4-2-5-9-15)22(24)30-14-17(25)16-10-6-3-7-11-16/h2-11,20,22H,12-14H2,1H3,(H,23,26)/t20-,22-/s2
InChIKey KPJGUYKICCXQEQ-MGRUGCKGSA-N
Mol Weight 426.49 g/mol
Molecular Formula C22H22N2O5S
Exact Mass 426.124943 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6CbtDc6NcLE
Name cis-2-OXO-4-(PHENACYLTHIO)-3-(2-PHENYLACETAMIDO)-1-AZETIDINEACETIC ACID, METHYL ESTER
Source of Sample R. Lattrell, Hoechst AG, Frankfurt/Main, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O5S
InChI InChI=1S/C22H22N2O5S/c1-29-19(27)13-24-21(28)20(23-18(26)12-15-8-4-2-5-9-15)22(24)30-14-17(25)16-10-6-3-7-11-16/h2-11,20,22H,12-14H2,1H3,(H,23,26)/t20-,22-/s2
InChIKey KPJGUYKICCXQEQ-MGRUGCKGSA-N
Literature Reference Abstract-Chemical Abstracts= 81, 105122(1974)
Melting Point 148C
Molecular Weight 426.487000
Synonyms 1-AZETIDINEACETIC ACID, 2-OXO- 4-/PHENACYLTHIO/-3-/2-PHENYLACET- AMIDO/-, METHYL ESTER, CIS-,
Technique KBr WAFER