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16-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]estra-1,3,5(10)-triene-3,17-diol
SpectraBase Compound ID 7QpSK8reV9Z
InChI InChI=1S/C24H30N2O2/c1-14-17(13-26(3)25-14)10-16-12-22-21-6-4-15-11-18(27)5-7-19(15)20(21)8-9-24(22,2)23(16)28/h5,7,10-11,13,20-23,27-28H,4,6,8-9,12H2,1-3H3/b16-10+
InChIKey YTAQORRMQHRTNQ-MHWRWJLKSA-N
Mol Weight 378.52 g/mol
Molecular Formula C24H30N2O2
Exact Mass 378.230728 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FE0WOIaghaP
Name 16-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]estra-1,3,5(10)-triene-3,17-diol
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C24H30N2O2/c1-14-17(13-26(3)25-14)10-16-12-22-21-6-4-15-11-18(27)5-7-19(15)20(21)8-9-24(22,2)23(16)28/h5,7,10-11,13,20-23,27-28H,4,6,8-9,12H2,1-3H3/b16-10+
InChIKey YTAQORRMQHRTNQ-MHWRWJLKSA-N
NMR Offset 22.0428
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33557
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1996083; SBI_ID: SBI-033561
Temperature 318 °C