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3,20-Dioxopregn-4-en-21-oic acid, methyl ester

View entire compound with spectra: 2 FTIR

3,20-Dioxopregn-4-en-21-oic acid, methyl ester
SpectraBase Compound ID ewb634EJOl
InChI InChI=1S/C22H30O4/c1-21-10-8-14(23)12-13(21)4-5-15-16-6-7-18(19(24)20(25)26-3)22(16,2)11-9-17(15)21/h12,15-18H,4-11H2,1-3H3/t15-,16-,17-,18+,21-,22-/m0/s1
InChIKey KBOGKPKLLKJYTC-VABCKDIBSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5f1qoQrnFJ7
Name 3,20-Dioxopregn-4-en-21-oic acid, methyl ester
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-21-10-8-14(23)12-13(21)4-5-15-16-6-7-18(19(24)20(25)26-3)22(16,2)11-9-17(15)21/h12,15-18H,4-11H2,1-3H3/t15-,16-,17-,18+,21-,22-/m0/s1
InChIKey KBOGKPKLLKJYTC-VABCKDIBSA-N
Melting Point 138.5-141C
Molecular Weight 358.48
Technique KBr WAFER