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16-(4-chlorobenzylidene)-3-methoxyestra-1,3,5(10)-trien-17-one

View entire compound with spectra: 1 NMR

16-(4-chlorobenzylidene)-3-methoxyestra-1,3,5(10)-trien-17-one
SpectraBase Compound ID Egzf2PvjkbH
InChI InChI=1S/C26H27ClO2/c1-26-12-11-22-21-10-8-20(29-2)14-17(21)5-9-23(22)24(26)15-18(25(26)28)13-16-3-6-19(27)7-4-16/h3-4,6-8,10,13-14,22-24H,5,9,11-12,15H2,1-2H3/b18-13+
InChIKey HEISBLGPHCGBTI-QGOAFFKASA-N
Mol Weight 406.95 g/mol
Molecular Formula C26H27ClO2
Exact Mass 406.169958 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HbCYg7igL7g
Name 16-(4-chlorobenzylidene)-3-methoxyestra-1,3,5(10)-trien-17-one
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/C26H27ClO2/c1-26-12-11-22-21-10-8-20(29-2)14-17(21)5-9-23(22)24(26)15-18(25(26)28)13-16-3-6-19(27)7-4-16/h3-4,6-8,10,13-14,22-24H,5,9,11-12,15H2,1-2H3/b18-13+
InChIKey HEISBLGPHCGBTI-QGOAFFKASA-N
NMR Offset 15.251
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_SBI_36227_34199
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: 2177001; SBI_ID: SBI-034203
Temperature 297 °C