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3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one, 1-acetate 3-(phenyl carbonate)
SpectraBase Compound ID 7F2iarVE0ZO
InChI InChI=1S/C21H24N2O6/c1-14-11-18-20(19(25)12-14)17(22-23(18)9-6-10-27-15(2)24)13-28-21(26)29-16-7-4-3-5-8-16/h3-5,7-8,14H,6,9-13H2,1-2H3
InChIKey GPKIFYPFRJZRPM-UHFFFAOYSA-N
Mol Weight 400.43 g/mol
Molecular Formula C21H24N2O6
Exact Mass 400.163436 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID C3AsUWjbSe1
Name 3-(HYDROXYMETHYL)-1-(3-HYDROXYPROPYL)-6-METHYL-1,5,6,7-TETRAHYDRO-4H-INDAZOL-4-ONE, 1-ACETATE 3-(PHENYL CARBONATE)
Source of Sample W. Sucrow, University of Paderborn, Paderborn, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O6
InChI InChI=1S/C21H24N2O6/c1-14-11-18-20(19(25)12-14)17(22-23(18)9-6-10-27-15(2)24)13-28-21(26)29-16-7-4-3-5-8-16/h3-5,7-8,14H,6,9-13H2,1-2H3
InChIKey GPKIFYPFRJZRPM-UHFFFAOYSA-N
Literature Reference LIEBIGS ANN. CHEM. 1982, 1891 Abstract-Chemical Abstracts= 98, 34547X(1983)
Melting Point 74C
Molecular Weight 400.431000
Synonyms 4H-INDAZOL-4-ONE, 3-/HYDROXYMETHYL/- 1-/3-HYDROXYPROPYL/-6-METHYL- 1,5,6,7-TETRAHYDRO-, 1-ACETATE 3-/PHENYL CARBONATE/
Technique KBr WAFER