John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7jNqhew0RFj SpectraBase Spectrum ID=29izCE3tNht

(accessed ).
trans-1-(2,4-dimethoxyphenyl)-3-hydroxy-4-[(2-methylallyl)thio]-2- azetidinone, p-chlorobenzenesulfonate (ester)
SpectraBase Compound ID 7jNqhew0RFj
InChI InChI=1S/C21H22ClNO6S2/c1-13(2)12-30-21-19(29-31(25,26)16-8-5-14(22)6-9-16)20(24)23(21)17-10-7-15(27-3)11-18(17)28-4/h5-11,19,21H,1,12H2,2-4H3/t19-,21+/s2
InChIKey ICKSXYOEKXOHBF-LMPOMZQGSA-N
Mol Weight 483.98 g/mol
Molecular Formula C21H22ClNO6S2
Exact Mass 483.057709 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 29izCE3tNht
Name trans-1-(2,4-DIMETHOXYPHENYL)-3-HYDROXY-4-[(2-METHYLALLYL)THIO]-2-AZETIDINONE, p-CHLOROBENZENESULFONATE (ESTER)
Source of Sample R. Lattrell, Hoechst AG, Frankfurt/Main, Germany
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClNO6S2
InChI InChI=1S/C21H22ClNO6S2/c1-13(2)12-30-21-19(29-31(25,26)16-8-5-14(22)6-9-16)20(24)23(21)17-10-7-15(27-3)11-18(17)28-4/h5-11,19,21H,1,12H2,2-4H3/t19-,21+/s2
InChIKey ICKSXYOEKXOHBF-LMPOMZQGSA-N
Literature Reference Abstract-Chemical Abstracts= 81, 120554(1974)
Melting Point 85C
Molecular Weight 483.977997
SpectraBase Batch ID 5eg1CGj6UCA
Synonyms 2-AZETIDINONE, 1-/2,4-DIMETHOXY- PHENYL/-3-HYDROXY-4-//2-METHYLALLYL/- THIO/-, P-CHLOROBENZENESULFONATE /ESTER/, TRANS-,
Technique KBr WAFER